data_2kbm_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 2kbm _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 ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.503 2.18 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -130.05 19.63 5.44 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.556 ' O ' ' N ' ' X' ' 10' ' ' ILE . 43.8 t90 -60.0 -48.78 80.3 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.239 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.525 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 1.3 t-20 -50.14 -31.52 13.7 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 119.716 -1.865 . . . . 0.0 109.035 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.9 -27.19 68.63 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' X' ' 7' ' ' TRP . 6.0 tt -48.55 -40.01 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.458 ' H ' HG23 ' X' ' 10' ' ' ILE . 44.9 tp -69.97 -40.01 75.62 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.952 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.435 ' O ' ' OG ' ' X' ' 12' ' ' SER . 12.8 t . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.177 -0.952 . . . . 0.0 109.492 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 26.6 pt . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 121.904 0.859 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -111.29 21.01 16.76 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.405 -0.809 . . . . 0.0 109.158 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.637 ' N ' ' OD2' ' B' ' 46' ' ' ASP . 33.7 t90 -59.96 -50.01 75.42 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.844 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.503 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 2.9 p-10 -50.27 -33.35 19.5 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 119.716 -1.865 . . . . 0.0 109.064 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -59.19 -24.88 63.49 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.571 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 4.1 tt -53.41 -35.21 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.444 ' N ' HG22 ' Y' ' 10' ' ' ILE . 0.1 OUTLIER -65.43 -40.1 92.91 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.228 179.705 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.989 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.514 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 87.3 p -76.83 159.28 30.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -1.134 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -47.19 -49.77 22.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.14 -0.975 . . . . 0.0 110.583 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.66 -45.21 72.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.917 -1.114 . . . . 0.0 110.347 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.514 ' H ' ' HG ' ' A' ' 2' ' ' SER . 88.6 tt0 -59.95 -39.64 86.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.006 -1.059 . . . . 0.0 108.866 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 58.1 m -48.95 -50.37 35.86 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.884 0.85 . . . . 0.0 110.069 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.76 -27.7 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.63 -49.55 52.76 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.348 -1.47 . . . . 0.0 110.255 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -68.44 -29.02 67.58 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.775 -0.578 . . . . 0.0 110.71 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -63.25 -57.24 11.11 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.878 -1.139 . . . . 0.0 110.22 -178.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 10.1 mp -55.67 -40.11 71.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.251 -1.531 . . . . 0.0 110.254 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.22 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 O-C-N 120.932 -1.105 . . . . 0.0 112.263 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -80.62 -41.77 23.32 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 119.895 -1.753 . . . . 0.0 112.139 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 9.9 p -60.23 -41.75 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.574 -1.329 . . . . 0.0 108.65 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 4.1 t80 -60.0 -39.35 85.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.917 -1.114 . . . . 0.0 109.872 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.26 27.72 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.302 -0.874 . . . . 0.0 112.905 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -78.88 -42.17 27.94 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.692 -1.255 . . . . 0.0 111.654 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.53 7.73 59.82 Favored Glycine 0 N--CA 1.501 2.967 0 O-C-N 120.521 -1.362 . . . . 0.0 112.595 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.41 -59.28 1.84 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.262 1.531 . . . . 0.0 109.702 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.22 16.98 7.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 111.118 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -164.7 -161.54 13.9 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 118.222 -1.942 . . . . 0.0 112.429 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.6 m-20 -59.89 143.57 51.06 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -51.89 -51.2 58.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.635 -0.665 . . . . 0.0 111.113 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.562 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 54.0 t80 -113.19 17.71 18.47 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.624 -1.298 . . . . 0.0 111.845 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -137.68 146.44 43.83 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.437 -1.415 . . . . 0.0 109.928 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -92.81 165.98 12.65 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.052 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.463 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 58.0 m -131.75 164.34 26.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.226 -0.921 . . . . 0.0 109.664 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.27 -39.98 23.34 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.039 -1.038 . . . . 0.0 111.124 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.64 -31.25 36.52 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 119.912 -1.742 . . . . 0.0 110.563 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.512 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 71.7 mt-10 -70.07 -38.38 75.72 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.396 -1.44 . . . . 0.0 110.855 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.515 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 3.6 pp -63.04 -45.18 93.48 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.452 -1.405 . . . . 0.0 109.813 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.634 ' HZ3' HE22 ' A' ' 38' ' ' GLN . 60.1 tttm -59.93 -38.95 83.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.13 -0.981 . . . . 0.0 111.24 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -71.77 -42.84 66.69 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.291 -0.881 . . . . 0.0 111.635 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.96 -49.91 72.87 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.56 0.695 . . . . 0.0 110.757 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 4.2 mm? -70.51 -42.53 71.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.507 -0.745 . . . . 0.0 112.375 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.634 HE22 ' HZ3' ' A' ' 34' ' ' LYS . 1.9 pt20 -69.67 -41.68 75.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.938 -1.101 . . . . 0.0 112.708 -176.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -50.95 -48.76 60.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.48 -0.762 . . . . 0.0 111.244 -175.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.99 -22.73 15.14 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.248 -0.907 . . . . 0.0 111.269 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -120.0 31.15 6.65 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -49.94 -61.61 2.04 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.507 0.67 . . . . 0.0 109.623 179.273 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.7 p -69.9 -21.19 63.33 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.655 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -87.91 -103.87 0.08 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.202 -1.561 . . . . 0.0 110.151 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.655 ' O ' ' O ' ' A' ' 44' ' ' PHE . 2.1 mp -15.42 153.52 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.592 175.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.55 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -93.43 99.66 12.11 Favored 'General case' 0 N--CA 1.516 2.832 0 CA-C-N 123.937 3.062 . . . . 0.0 109.268 173.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.9 t -128.39 -79.69 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.702 0 O-C-N 120.677 -1.264 . . . . 0.0 108.888 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.81 -39.89 93.32 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.693 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' CE ' ' O ' ' A' ' 42' ' ' SER . 2.3 mmtt -65.91 -18.27 65.22 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -146.53 88.65 1.79 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.17 64.54 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -60.2 -39.82 87.92 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.94 81.07 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.23 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -39.83 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.585 -1.322 . . . . 0.0 108.605 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -63.17 -40.08 96.5 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.737 -0.602 . . . . 0.0 111.073 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.21 -39.94 94.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 108.553 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.8 mm -63.54 -46.5 94.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.638 -0.664 . . . . 0.0 110.512 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.4 mmm -59.48 -39.73 84.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.949 -1.094 . . . . 0.0 109.252 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -46.78 88.4 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.29 -31.74 72.97 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.515 -0.74 . . . . 0.0 109.182 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 63' ' ' GLU . 40.2 mt -93.59 -17.15 23.63 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.325 -0.859 . . . . 0.0 110.665 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' MET . 96.0 m-20 -77.49 42.92 0.37 Allowed 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.6 mt-10 -60.03 -41.05 91.37 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.938 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -74.78 -18.98 60.39 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.62 33.61 63.54 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 107.814 -2.114 . . . . 0.0 107.814 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -93.47 -8.3 41.96 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.514 -0.992 . . . . 0.0 112.101 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 11.34 80.85 Favored Glycine 0 N--CA 1.503 3.149 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -133.13 173.28 11.6 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 5.6 t -128.53 126.99 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.738 -1.227 . . . . 0.0 108.777 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -93.14 155.04 17.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 108.928 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.88 -21.88 4.81 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.437 -0.79 . . . . 0.0 109.672 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -78.29 -23.78 47.01 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.163 0.982 . . . . 0.0 108.417 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -85.36 -49.18 8.34 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.861 0.838 . . . . 0.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.12 -49.68 76.67 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.218 0.532 . . . . 0.0 111.177 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -38.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.178 -0.951 . . . . 0.0 109.573 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.962 -1.086 . . . . 0.0 109.166 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.84 -56.38 15.82 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.642 -0.661 . . . . 0.0 112.694 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.91 -36.57 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.662 -1.274 . . . . 0.0 109.928 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.35 97.37 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 121.555 0.693 . . . . 0.0 111.305 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.31 -24.01 46.85 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 82' ' ' THR . 3.9 pp -81.6 -45.26 16.08 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 119.459 -2.026 . . . . 0.0 109.659 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.556 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 1.8 t -52.89 -45.6 67.59 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.134 -0.979 . . . . 0.0 110.181 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 12.2 m -56.65 -40.83 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.945 -1.097 . . . . 0.0 109.055 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.4 ' N ' HG21 ' A' ' 83' ' ' VAL . . . -64.07 -26.58 68.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.476 -0.765 . . . . 0.0 109.034 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.61 -42.54 70.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.16 -0.962 . . . . 0.0 110.035 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.76 -41.95 98.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 0.0 110.316 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -66.94 -39.83 87.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.269 -0.894 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -80.45 -11.04 59.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -78.87 -30.29 44.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.197 -0.939 . . . . 0.0 109.02 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.484 -0.76 . . . . 0.0 110.246 -179.154 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -46.96 -49.99 19.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.067 -1.021 . . . . 0.0 110.562 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.49 -44.99 73.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.907 -1.121 . . . . 0.0 110.401 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.62 -39.11 87.01 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.014 -1.054 . . . . 0.0 108.833 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.471 ' O ' ' OG1' ' B' ' 10' ' ' THR . 61.7 m -49.29 -50.34 39.68 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.903 0.859 . . . . 0.0 110.045 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.78 -27.35 65.81 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.79 -49.36 53.6 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.449 -1.407 . . . . 0.0 110.214 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.69 -29.08 67.45 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.712 -0.617 . . . . 0.0 110.667 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.1 OUTLIER -63.07 -57.3 11.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.134 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.422 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 10.1 mp -55.65 -39.91 71.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.233 -1.542 . . . . 0.0 110.192 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.47 -39.96 87.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.49 -42.17 23.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 119.959 -1.713 . . . . 0.0 112.128 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 9.9 p -60.01 -41.61 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.591 -1.318 . . . . 0.0 108.578 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 5.0 t80 -59.93 -39.68 86.29 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -59.96 -40.09 87.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.975 -1.078 . . . . 0.0 109.834 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.2 -55.51 23.76 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.301 -0.874 . . . . 0.0 112.973 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -78.84 -42.63 27.07 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.828 -1.17 . . . . 0.0 111.724 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 24' ' ' ASP . 4.3 t -63.72 -31.7 72.96 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -178.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.52 7.64 59.79 Favored Glycine 0 N--CA 1.502 3.071 0 O-C-N 120.486 -1.384 . . . . 0.0 112.695 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.48 -58.98 1.87 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.335 1.568 . . . . 0.0 109.71 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.46 17.06 7.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.07 -1.019 . . . . 0.0 111.235 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.511 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -164.66 -161.52 13.83 Favored Glycine 0 N--CA 1.493 2.434 0 C-N-CA 118.299 -1.905 . . . . 0.0 112.352 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.5 m-20 -60.02 143.65 51.36 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.686 0.755 . . . . 0.0 110.227 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -51.89 -51.26 58.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.658 -0.651 . . . . 0.0 111.2 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -113.05 17.51 18.75 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.633 -1.292 . . . . 0.0 111.817 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -137.73 146.34 43.58 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.393 -1.442 . . . . 0.0 110.001 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -92.61 166.24 12.59 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.074 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.46 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 63.1 m -132.07 164.57 25.95 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.244 -0.91 . . . . 0.0 109.698 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.38 -39.96 24.05 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.111 -0.993 . . . . 0.0 111.221 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -80.82 -31.26 35.66 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 119.875 -1.766 . . . . 0.0 110.517 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 71.6 mt-10 -70.01 -38.67 75.99 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.348 -1.47 . . . . 0.0 110.757 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.507 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 3.5 pp -62.57 -45.27 93.68 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.469 -1.394 . . . . 0.0 109.675 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.585 ' HZ1' HE22 ' B' ' 38' ' ' GLN . 58.6 tttm -60.37 -38.56 84.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 111.231 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -72.01 -42.51 66.31 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.313 -0.867 . . . . 0.0 111.444 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.13 -49.97 72.31 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.616 0.722 . . . . 0.0 110.583 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 4.3 mm? -70.47 -42.86 70.88 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.519 -0.738 . . . . 0.0 112.365 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.585 HE22 ' HZ1' ' B' ' 34' ' ' LYS . 1.8 pt20 -69.33 -41.49 76.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.985 -1.072 . . . . 0.0 112.782 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -51.22 -48.69 62.0 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.436 -0.79 . . . . 0.0 111.277 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.97 -22.59 15.21 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.196 -0.94 . . . . 0.0 111.257 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 90.5 mt -120.08 31.1 6.66 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.475 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -50.03 -61.27 2.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.522 0.677 . . . . 0.0 109.563 179.399 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -70.32 -20.23 63.02 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' B' ' 44' ' ' PHE . 1.8 t80 -89.71 -89.7 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.254 -1.529 . . . . 0.0 111.95 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.432 ' N ' ' CG ' ' B' ' 44' ' ' PHE . 1.4 mp -39.68 160.04 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' Y' ' 7' ' ' TRP . 0.5 OUTLIER -92.63 98.87 11.7 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 121.944 2.157 . . . . 0.0 109.094 177.286 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.45 -79.11 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 O-C-N 121.061 -1.024 . . . . 0.0 108.863 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.21 -39.95 94.47 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.7 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' O ' ' B' ' 42' ' ' SER . 2.1 mmtt -65.75 -18.39 65.3 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -146.44 88.59 1.79 Allowed 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -32.02 64.57 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.26 -39.78 87.98 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -41.02 81.79 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.926 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -39.53 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.476 -1.39 . . . . 0.0 108.889 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -63.14 -39.88 95.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.721 -0.612 . . . . 0.0 111.041 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.26 -40.14 95.2 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.887 -1.133 . . . . 0.0 108.628 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -63.57 -46.05 96.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.576 -0.703 . . . . 0.0 110.487 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.579 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.3 mmm -59.72 -39.79 85.85 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.966 -1.084 . . . . 0.0 109.298 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -46.66 88.81 Favored 'General case' 0 C--N 1.279 -2.48 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -64.34 -29.5 70.57 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.64 -0.662 . . . . 0.0 109.496 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' B' ' 63' ' ' GLU . 38.5 mt -95.11 -17.43 21.83 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 58' ' ' MET . 95.9 m-20 -77.28 42.73 0.35 Allowed 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.11 -40.78 90.89 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.369 -0.932 . . . . 0.0 108.987 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -75.24 -18.96 59.99 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.42 63.1 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 107.686 -2.165 . . . . 0.0 107.686 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -93.25 -8.52 42.01 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.637 -0.92 . . . . 0.0 112.012 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.04 11.33 81.5 Favored Glycine 0 N--CA 1.501 2.971 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -133.22 173.6 11.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.452 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 5.1 t -128.57 127.12 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.737 -1.227 . . . . 0.0 108.806 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -93.61 154.67 17.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.307 -0.871 . . . . 0.0 108.967 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -52.51 -22.12 4.52 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.544 -0.723 . . . . 0.0 109.617 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -78.17 -23.71 47.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.154 0.978 . . . . 0.0 108.513 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -85.59 -49.01 8.36 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.833 0.825 . . . . 0.0 109.228 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -60.16 -49.64 76.84 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.256 0.551 . . . . 0.0 111.065 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.2 t -60.04 -38.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.25 -39.87 82.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.117 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.62 -56.4 16.1 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 121.571 -0.705 . . . . 0.0 112.747 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -60.04 -36.02 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.643 -1.285 . . . . 0.0 109.878 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.54 96.3 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-O 121.527 0.68 . . . . 0.0 111.293 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.455 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.27 -23.77 47.11 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.561 ' CD1' ' N ' ' B' ' 82' ' ' THR . 4.1 pp -82.14 -44.23 16.73 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 119.417 -2.052 . . . . 0.0 109.721 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 1.9 t -54.03 -45.09 71.5 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.018 -1.051 . . . . 0.0 110.007 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 13.6 m -57.01 -40.57 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.029 -1.044 . . . . 0.0 109.125 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.27 -26.72 68.62 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.57 -42.65 70.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.173 -0.954 . . . . 0.0 110.084 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.52 -42.18 98.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.264 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.68 -40.04 88.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.239 -0.913 . . . . 0.0 110.718 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.31 -10.97 59.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.751 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -79.08 -29.97 43.68 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.188 -0.945 . . . . 0.0 108.899 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.751 . . . . 0.0 110.182 -179.209 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' X' ' 7' ' ' TRP . 10.7 pt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . 0.443 ' OD1' ' OD2' ' A' ' 50' ' ' ASP . 32.6 m-20 43.44 19.71 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.196 -0.94 . . . . 0.0 110.327 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.499 ' N ' ' O ' ' X' ' 5' ' ' ILE . 39.4 t90 -60.17 -49.97 75.51 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.156 0.979 . . . . 0.0 110.079 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.24 -30.17 49.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.595 -1.315 . . . . 0.0 108.959 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.684 ' NZ ' ' HZ1' ' A' ' 56' ' ' LYS . 10.1 ttmm -59.93 -25.08 64.87 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' X' ' 7' ' ' TRP . 5.5 tt -54.94 -39.37 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.423 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 55.6 tp -66.18 -41.45 90.27 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.296 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.4 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 12.2 t . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.407 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.508 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.2 pt . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.18 18.35 21.8 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.225 -0.922 . . . . 0.0 108.69 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.502 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 41.0 t90 -60.02 -50.07 75.18 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.598 -0.689 . . . . 0.0 111.838 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.53 -33.14 59.48 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 119.597 -1.94 . . . . 0.0 109.158 -178.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.97 -24.29 64.3 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -51.3 -37.33 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.416 ' N ' HG21 ' Y' ' 10' ' ' ILE . 58.3 tp -64.16 -40.17 95.57 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.378 179.594 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.571 2.588 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -76.72 156.6 32.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.209 -1.171 . . . . 0.0 109.42 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -42.37 -57.4 2.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.21 -41.06 90.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.03 -1.044 . . . . 0.0 110.004 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.47 -32.84 74.41 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.037 -1.039 . . . . 0.0 109.634 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.4 m -59.15 -47.99 83.25 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.927 0.87 . . . . 0.0 109.339 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.2 68.3 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.52 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 ttt -70.63 -48.43 55.08 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.452 -1.405 . . . . 0.0 110.44 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.96 -25.84 63.82 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.705 -0.622 . . . . 0.0 110.359 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.464 ' H ' ' HG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -66.94 -57.95 5.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.953 -1.092 . . . . 0.0 109.765 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.9 mp -54.2 -39.98 67.18 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.222 -1.549 . . . . 0.0 110.294 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.84 -40.02 82.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.038 -1.039 . . . . 0.0 112.63 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -80.66 -42.65 21.7 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 119.891 -1.755 . . . . 0.0 112.304 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 7.7 p -59.9 -40.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.701 -1.249 . . . . 0.0 108.4 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.437 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 9.1 t80 -60.48 -39.62 88.33 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.897 -1.127 . . . . 0.0 110.599 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.34 23.03 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -78.66 -45.15 22.08 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.973 -1.08 . . . . 0.0 110.694 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 61.3 p -60.04 -26.58 66.23 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.741 -0.599 . . . . 0.0 112.515 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 3.96 57.39 Favored Glycine 0 N--CA 1.5 2.942 0 O-C-N 120.793 -1.192 . . . . 0.0 111.346 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' A' ' 23' ' ' GLY . 67.2 mttm -124.22 -65.15 1.07 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.311 -1.111 . . . . 0.0 108.945 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.9 20.7 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.186 -0.946 . . . . 0.0 109.891 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 175.08 -174.29 46.68 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 118.721 -1.705 . . . . 0.0 112.317 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 36.8 t0 -39.29 152.34 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.556 0.693 . . . . 0.0 110.153 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 3.5 mptp? -52.08 -40.01 60.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.548 -0.72 . . . . 0.0 112.363 -176.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -135.89 35.99 2.85 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.309 -1.495 . . . . 0.0 112.348 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -140.37 147.02 39.16 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.653 -1.279 . . . . 0.0 109.493 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.28 162.38 13.87 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.067 0.937 . . . . 0.0 108.503 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.509 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.7 t -130.66 161.04 32.51 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' SER . 55.7 tttt -47.08 -34.09 5.57 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 117.668 -1.613 . . . . 0.0 111.48 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -81.02 -30.05 35.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.195 -1.566 . . . . 0.0 110.545 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.7 mt-10 -73.59 -39.95 64.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.405 -1.434 . . . . 0.0 110.719 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 3.6 pp -59.94 -44.87 94.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.493 -1.38 . . . . 0.0 108.747 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.413 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 83.6 tttt -63.6 -39.96 95.7 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.79 -0.569 . . . . 0.0 111.961 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.743 -1.223 . . . . 0.0 110.859 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.49 -41.86 98.56 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.499 0.666 . . . . 0.0 110.842 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -79.07 -46.85 17.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' THR . 2.5 pt20 -65.26 -39.9 93.23 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.915 0.865 . . . . 0.0 112.981 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.5 m -52.65 -45.25 66.64 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.836 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -101.61 -16.88 16.59 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.082 -1.011 . . . . 0.0 111.778 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 mt -132.9 50.0 2.27 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.88 -1.138 . . . . 0.0 109.286 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 25.8 p -63.0 -49.83 73.14 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 110.699 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -68.39 -39.95 81.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.155 -0.965 . . . . 0.0 111.688 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.588 ' O ' ' C ' ' A' ' 45' ' ' LEU . 13.9 t80 -83.83 -106.18 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.588 ' C ' ' O ' ' A' ' 44' ' ' PHE . 3.8 mp -9.69 127.65 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.237 0 CA-C-O 114.906 -2.473 . . . . 0.0 109.774 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -91.13 117.1 29.34 Favored 'General case' 0 N--CA 1.525 3.3 1 CA-C-N 127.9 4.864 . . . . 0.0 110.067 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 m -148.76 -40.19 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.77 -1.206 . . . . 0.0 110.129 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -94.43 -40.37 9.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.044 -1.035 . . . . 0.0 111.806 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.1 -52.38 65.57 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 178.362 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.443 ' OD2' ' OD1' ' X' ' 6' ' ' ASP . 81.5 m-20 -104.37 95.06 5.68 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.6 72.09 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 50.8 t0 -59.91 -38.35 82.05 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.4 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.563 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -34.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.594 -1.316 . . . . 0.0 108.616 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 61.3 t0 -65.68 -40.01 91.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.977 -1.077 . . . . 0.0 110.496 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.684 ' HZ1' ' NZ ' ' X' ' 9' ' ' LYS . 4.8 mmmm -69.47 -42.96 74.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.202 -0.936 . . . . 0.0 110.557 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.16 -55.76 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.9 ttt -59.9 -32.42 70.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.67 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -49.78 76.32 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.301 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -24.91 63.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 73' ' ' GLU . 5.5 tp -81.33 -15.82 54.22 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 55.3 t0 -90.75 65.08 5.77 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.44 -35.59 81.37 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.794 -0.566 . . . . 0.0 110.107 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.524 HD22 ' CG ' ' A' ' 66' ' ' ASP . 25.7 p-10 -71.54 -12.88 61.6 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.51 68.33 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.552 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 32.5 p-10 -93.71 -117.36 0.09 Allowed 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.552 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -158.76 26.8 0.39 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -133.14 173.93 10.91 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.16 129.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 120.593 -1.317 . . . . 0.0 109.011 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -96.03 149.86 21.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.82 -1.175 . . . . 0.0 108.289 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -45.32 -31.94 1.81 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.097 -1.002 . . . . 0.0 110.012 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.97 -33.15 71.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.603 -1.311 . . . . 0.0 108.328 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASP . 51.9 mt-10 -78.63 -49.36 13.35 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.823 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.03 -48.78 80.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.49 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.9 -34.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.096 -1.002 . . . . 0.0 110.406 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.91 -40.44 82.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.809 -1.182 . . . . 0.0 110.198 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 1.8 tm? -64.41 -48.82 73.94 Favored 'General case' 0 N--CA 1.51 2.553 0 O-C-N 120.906 -1.121 . . . . 0.0 111.922 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.92 -40.06 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.781 -1.199 . . . . 0.0 109.739 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.98 97.02 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 121.632 0.73 . . . . 0.0 111.738 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.6 -23.28 49.91 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 mt -80.84 -41.39 23.28 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.439 -2.038 . . . . 0.0 109.707 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -55.45 -45.1 76.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.238 -0.914 . . . . 0.0 109.983 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 11.6 m -60.03 -40.76 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.136 -0.978 . . . . 0.0 109.964 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.52 -26.3 67.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.483 -0.761 . . . . 0.0 109.136 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -72.49 -47.06 51.69 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.574 -0.704 . . . . 0.0 110.765 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -63.22 -42.54 99.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.99 -1.069 . . . . 0.0 110.613 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -61.63 -40.02 93.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.286 -0.884 . . . . 0.0 110.987 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 64.9 t80 -88.78 -9.92 50.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.044 . . . . 0.0 110.112 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -73.43 -37.27 65.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 0.0 108.887 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.5 m95 . . . . . 0 N--CA 1.487 1.393 0 O-C-N 121.419 -0.801 . . . . 0.0 110.518 -179.248 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 31.9 t . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 79.0 mm-40 -42.03 -57.35 2.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.371 -0.831 . . . . 0.0 110.871 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.53 -40.88 89.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.952 -1.093 . . . . 0.0 110.004 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.77 -32.54 74.07 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.06 -1.025 . . . . 0.0 109.57 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.46 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -59.39 -47.82 83.99 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.972 0.891 . . . . 0.0 109.279 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.97 -27.75 67.7 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.59 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ttt -70.74 -48.28 55.32 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.528 -1.357 . . . . 0.0 110.34 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.0 -25.87 63.8 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.604 -0.685 . . . . 0.0 110.412 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -66.94 -57.88 6.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.965 -1.085 . . . . 0.0 109.803 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 8.9 mp -54.26 -40.12 67.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.123 -1.61 . . . . 0.0 110.243 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.7 mt -67.73 -39.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -80.68 -42.59 21.77 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 119.94 -1.725 . . . . 0.0 112.263 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 7.2 p -60.02 -40.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.726 -1.234 . . . . 0.0 108.286 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.452 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 10.1 t80 -60.3 -39.67 87.76 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.758 -1.214 . . . . 0.0 110.462 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -56.28 23.78 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -78.73 -45.09 21.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.994 -1.066 . . . . 0.0 110.698 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.481 ' O ' ' O ' ' B' ' 24' ' ' ASP . 59.8 p -59.92 -27.13 66.5 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.792 -0.568 . . . . 0.0 112.47 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.78 4.26 57.73 Favored Glycine 0 N--CA 1.501 2.971 0 O-C-N 120.803 -1.186 . . . . 0.0 111.386 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' B' ' 23' ' ' GLY . 68.6 mttm -124.05 -65.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.273 -1.134 . . . . 0.0 108.818 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.94 20.72 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.123 -0.986 . . . . 0.0 110.044 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 175.36 -174.05 46.59 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 118.652 -1.737 . . . . 0.0 112.319 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 37.2 t0 -39.57 152.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.522 0.677 . . . . 0.0 110.225 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 3.5 mptp? -51.93 -40.09 60.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.533 -0.73 . . . . 0.0 112.354 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -135.71 35.65 2.9 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.356 -1.465 . . . . 0.0 112.372 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -140.2 146.7 39.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.651 -1.281 . . . . 0.0 109.503 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.81 162.31 13.97 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 122.109 0.957 . . . . 0.0 108.594 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.506 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.6 t -130.55 161.1 32.25 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -47.19 -34.05 5.95 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 117.646 -1.621 . . . . 0.0 111.453 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -81.11 -29.99 34.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.151 -1.593 . . . . 0.0 110.409 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.506 ' HB2' ' H ' ' B' ' 29' ' ' SER . 49.4 mt-10 -73.53 -40.05 64.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.483 -1.386 . . . . 0.0 110.68 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 3.6 pp -59.91 -44.66 94.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.547 -1.345 . . . . 0.0 108.773 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.426 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 83.1 tttt -63.7 -39.97 95.62 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.07 -40.01 75.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.634 -1.291 . . . . 0.0 110.886 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.2 tp -63.64 -41.65 98.22 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-O 121.549 0.69 . . . . 0.0 110.808 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.2 mt -79.13 -46.84 17.2 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' B' ' 39' ' ' THR . 2.5 pt20 -65.22 -39.97 93.47 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.878 0.847 . . . . 0.0 112.904 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.454 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 69.5 m -52.45 -45.52 66.06 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.872 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -101.52 -16.9 16.64 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.08 -1.012 . . . . 0.0 111.773 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 mt -132.74 49.96 2.27 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.886 -1.133 . . . . 0.0 109.214 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.519 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 22.8 p -63.03 -49.71 73.55 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.881 . . . . 0.0 110.673 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.473 ' H ' ' HG ' ' B' ' 42' ' ' SER . 37.4 t -68.19 -39.97 82.32 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.191 -0.943 . . . . 0.0 111.814 -178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.2 t80 -84.53 -92.29 0.08 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.796 -1.19 . . . . 0.0 112.778 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.539 ' C ' ' O ' ' B' ' 44' ' ' PHE . 3.0 mp -33.52 134.86 0.13 Allowed 'General case' 0 N--CA 1.515 2.798 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.494 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.508 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.3 t0 -90.82 116.34 28.58 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-N 125.033 3.56 . . . . 0.0 109.726 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 m -148.66 -39.97 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.056 . . . . 0.0 109.888 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -94.38 -40.5 9.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.155 -0.966 . . . . 0.0 111.842 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.519 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -59.98 -52.55 64.92 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -104.47 95.37 5.88 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.29 71.78 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 52' ' ' ASP . 50.3 t0 -59.94 -38.29 81.98 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.28 93.83 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.216 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -34.55 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.558 -1.339 . . . . 0.0 108.746 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 61.2 t0 -65.52 -40.01 92.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.967 -1.083 . . . . 0.0 110.505 -178.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -69.28 -43.27 74.22 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.224 -0.923 . . . . 0.0 110.505 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.94 -55.8 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.523 -0.736 . . . . 0.0 110.166 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.1 ttt -59.97 -32.52 70.9 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.524 -0.735 . . . . 0.0 109.691 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -49.99 75.53 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 118.89 -1.124 . . . . 0.0 108.324 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -70.53 -22.92 62.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.978 . . . . 0.0 108.697 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' B' ' 73' ' ' GLU . 5.5 tp -82.94 -15.9 49.5 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -90.64 65.1 5.88 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -35.56 81.24 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.078 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.516 HD22 ' CG ' ' B' ' 66' ' ' ASP . 25.1 p-10 -71.51 -12.97 61.65 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.76 25.22 67.82 Favored Glycine 0 N--CA 1.485 1.905 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.553 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 32.5 p-10 -93.97 -117.31 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.553 ' H ' ' CG ' ' B' ' 66' ' ' ASP . . . -158.89 26.85 0.39 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -133.14 173.87 10.98 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.98 129.79 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.601 -1.312 . . . . 0.0 109.066 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 73' ' ' GLU . 96.0 m-20 -95.94 149.56 21.42 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.812 -1.18 . . . . 0.0 108.331 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -45.33 -31.62 1.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.047 . . . . 0.0 110.089 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.05 -33.19 71.63 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 108.337 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' B' ' 70' ' ' ASP . 52.0 mt-10 -78.55 -49.34 13.49 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.804 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.85 -49.08 79.11 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.191 -0.943 . . . . 0.0 112.426 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.02 -33.89 54.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.091 -1.006 . . . . 0.0 110.309 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.84 -40.57 83.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.889 -1.132 . . . . 0.0 110.239 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 1.7 tm? -64.52 -48.82 73.68 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.887 -1.133 . . . . 0.0 111.989 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.9 -40.08 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 120.566 -1.334 . . . . 0.0 109.66 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.45 97.13 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-O 121.689 0.756 . . . . 0.0 111.803 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.03 -23.23 48.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.19 -40.66 23.54 Favored 'General case' 0 N--CA 1.511 2.598 0 O-C-N 119.392 -2.068 . . . . 0.0 109.561 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -55.99 -45.19 79.09 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.268 -0.895 . . . . 0.0 109.918 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 11.9 m -60.0 -40.82 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.056 -1.028 . . . . 0.0 109.929 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.24 -26.41 67.73 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.465 -0.772 . . . . 0.0 109.066 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -72.68 -47.16 49.63 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.654 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -63.29 -42.12 99.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.1 -1.0 . . . . 0.0 110.692 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -61.87 -40.01 93.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.284 -0.885 . . . . 0.0 111.063 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 65.2 t80 -88.8 -9.85 50.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.107 -0.995 . . . . 0.0 109.984 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -73.54 -37.15 65.69 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.219 -0.925 . . . . 0.0 109.023 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 N--CA 1.486 1.348 0 O-C-N 121.453 -0.78 . . . . 0.0 110.365 -179.267 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' X' ' 7' ' ' TRP . 5.1 pt . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.981 0.419 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 47.35 18.37 0.1 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.039 -1.038 . . . . 0.0 110.447 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.585 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 32.4 t90 -60.09 -49.9 75.84 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.03 -1.044 . . . . 0.0 110.418 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.574 ' C ' HD21 ' X' ' 8' ' ' ASN . 0.2 OUTLIER -51.3 -35.68 38.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.776 -1.828 . . . . 0.0 109.14 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.497 ' HZ3' ' NZ ' ' A' ' 56' ' ' LYS . 34.0 tttp -56.1 -23.4 33.85 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.561 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -55.07 -38.44 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 66.4 tp -59.92 -43.96 94.58 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 117.902 -1.047 . . . . 0.0 109.26 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.505 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.504 2.25 0 CA-C-O 122.703 1.239 . . . . 0.0 110.707 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . 0.413 ' HB3' ' HZ2' ' Y' ' 9' ' ' LYS . 92.4 m-20 -98.14 27.87 4.35 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 33.5 t90 -59.97 -48.04 83.35 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.684 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.424 ' CG ' ' N ' ' Y' ' 9' ' ' LYS . 10.8 p-10 -49.26 -38.22 26.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.341 -1.474 . . . . 0.0 109.083 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' Y' ' 8' ' ' ASN . 4.9 ttpm? -59.49 -24.45 63.61 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 12.9 tt -52.83 -34.05 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -38.18 89.15 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.7 t . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.614 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.418 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 39.8 m -80.39 167.61 19.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.132 -1.217 . . . . 0.0 109.088 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.4 mp0 -60.05 -43.38 95.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.893 -1.129 . . . . 0.0 111.452 -178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.2 -41.69 89.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.371 -1.455 . . . . 0.0 111.467 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 2' ' ' SER . 14.0 pt-20 -69.95 -23.69 63.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.431 -1.418 . . . . 0.0 109.296 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 m -59.95 -42.01 93.14 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.877 0.846 . . . . 0.0 109.167 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.89 -27.6 55.05 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -65.78 -52.7 48.66 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.348 -1.47 . . . . 0.0 109.629 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -31.23 69.75 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.125 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -68.17 -56.71 7.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.754 -1.216 . . . . 0.0 110.316 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -47.71 -39.7 18.3 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.305 -1.497 . . . . 0.0 108.957 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.42 -40.02 81.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 O-C-N 121.419 -0.801 . . . . 0.0 111.699 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -77.04 -41.66 41.62 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.014 -1.679 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 15' ' ' PHE . 8.6 m -60.43 -44.77 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 109.074 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.493 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 6.4 t80 -60.16 -40.4 89.77 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.733 -0.605 . . . . 0.0 109.726 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.25 -36.16 79.24 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.453 -1.404 . . . . 0.0 109.204 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.08 -55.72 29.48 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.536 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 3.9 t60 -84.57 -40.05 18.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.801 -1.187 . . . . 0.0 111.29 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 24' ' ' ASP . 7.0 m -60.15 -29.4 68.63 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.354 -0.841 . . . . 0.0 113.026 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.53 9.97 41.83 Favored Glycine 0 N--CA 1.504 3.229 0 O-C-N 120.75 -1.219 . . . . 0.0 112.717 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -115.57 -62.52 1.58 Allowed 'General case' 0 N--CA 1.507 2.39 0 CA-C-N 119.483 1.641 . . . . 0.0 109.062 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.66 77.1 2.04 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.21 -155.39 26.11 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.892 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 54.3 t0 -82.34 153.08 25.97 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.1 mtmp? -57.48 -53.74 54.72 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.134 -0.978 . . . . 0.0 112.499 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 65.0 t80 -117.71 22.9 12.06 Favored 'General case' 0 N--CA 1.511 2.615 0 O-C-N 120.494 -1.379 . . . . 0.0 112.549 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -133.01 140.01 47.52 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.56 -1.338 . . . . 0.0 108.239 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.96 157.72 15.97 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.57 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 71.3 m -130.36 167.97 17.68 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.982 -1.074 . . . . 0.0 109.989 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.551 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 tptt -47.75 -38.76 16.13 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.284 -0.885 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 78.1 tttt -82.15 -30.94 30.76 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.242 -1.536 . . . . 0.0 110.485 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HB2' ' H ' ' A' ' 29' ' ' SER . 46.8 mt-10 -70.03 -39.91 75.5 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.533 -1.355 . . . . 0.0 110.481 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 3.3 pp -65.49 -42.03 92.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.62 ' HZ3' ' NE2' ' A' ' 48' ' ' GLN . 52.9 tttm -62.43 -38.66 90.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 112.038 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.536 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 3.5 p30 -80.73 -37.69 30.1 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 111.386 -177.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 42.6 tp -60.17 -49.74 76.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.995 -1.065 . . . . 0.0 109.216 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.7 mp -69.08 -42.55 76.04 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.834 0.826 . . . . 0.0 110.573 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' NE2' ' OG ' ' A' ' 42' ' ' SER . 51.5 tp60 -69.85 -36.67 75.74 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.518 0.675 . . . . 0.0 110.839 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 88.6 m -59.91 -50.77 72.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.689 -175.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -97.9 -13.46 21.2 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.95 -1.094 . . . . 0.0 111.571 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 mt -128.76 44.37 2.98 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 38' ' ' GLN . 12.1 t -60.16 -49.61 76.96 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.531 0.681 . . . . 0.0 110.589 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.542 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 80.2 p -79.6 -18.65 51.14 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.758 -0.589 . . . . 0.0 111.96 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.7 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t80 -95.14 -105.15 0.15 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.417 -1.427 . . . . 0.0 111.431 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.7 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -13.54 154.07 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.025 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.436 175.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.585 ' OD2' ' N ' ' X' ' 7' ' ' TRP . 1.7 m-20 -92.51 112.76 24.83 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 124.191 3.178 . . . . 0.0 110.158 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.0 -83.74 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.488 0 O-C-N 120.445 -1.409 . . . . 0.0 109.716 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.62 ' NE2' ' HZ3' ' A' ' 34' ' ' LYS . 41.2 mm-40 -60.02 -40.06 88.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 111.48 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' A' ' 43' ' ' SER . 45.3 mtmt -67.3 -19.9 65.54 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -144.67 90.89 2.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.55 77.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.07 -34.03 71.49 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.82 83.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.255 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -36.72 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.496 -1.378 . . . . 0.0 108.41 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.551 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 96.2 m-20 -67.87 -40.55 83.59 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.349 -0.844 . . . . 0.0 111.81 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.497 ' NZ ' ' HZ3' ' X' ' 9' ' ' LYS . 97.6 mttt -70.01 -39.95 75.54 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.953 -1.092 . . . . 0.0 110.35 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.67 -54.36 23.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-O 121.979 0.895 . . . . 0.0 110.559 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ASP . 18.4 ttt -60.07 -37.21 79.23 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.687 -0.633 . . . . 0.0 109.907 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -59.89 -45.71 91.65 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -58.35 -24.69 60.55 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.6 mt -95.09 -21.24 18.68 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' MET . 85.3 m-20 -73.12 43.54 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.573 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.2 mm-40 -60.35 -40.3 90.22 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.694 -0.803 . . . . 0.0 109.778 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.05 35.9 52.71 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 107.496 -2.242 . . . . 0.0 107.496 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -92.68 -9.07 42.15 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.48 -1.012 . . . . 0.0 111.609 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.13 12.49 75.87 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -133.39 174.29 10.56 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.51 129.39 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 120.813 -1.179 . . . . 0.0 109.397 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 41.3 t0 -98.79 152.75 19.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.034 -1.041 . . . . 0.0 109.144 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.533 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 11.2 t80 -50.38 -19.98 0.98 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.52 -0.737 . . . . 0.0 109.042 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' A' ' 72' ' ' GLN . 1.4 mp0 -77.88 -24.5 48.46 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.883 -1.135 . . . . 0.0 108.349 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' ASP . 80.3 mt-10 -86.98 -49.47 7.32 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.719 0.771 . . . . 0.0 109.987 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -63.59 -47.24 82.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.739 -0.601 . . . . 0.0 110.671 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.99 -40.07 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.028 -1.045 . . . . 0.0 109.677 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.7 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.946 -1.096 . . . . 0.0 109.921 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.1 tm? -63.16 -50.39 70.58 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.378 -0.826 . . . . 0.0 112.461 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.3 m -60.0 -39.57 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 120.438 -1.414 . . . . 0.0 109.285 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.16 85.0 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.551 -0.718 . . . . 0.0 109.718 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -79.46 -26.43 41.71 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.0 mt -84.5 -47.93 10.1 Favored 'General case' 0 N--CA 1.511 2.607 0 O-C-N 119.332 -2.105 . . . . 0.0 108.911 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 8.8 t -47.85 -45.65 30.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.475 -0.766 . . . . 0.0 109.472 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 15.5 m -60.18 -41.88 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.0 110.467 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.12 66.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.89 -45.93 47.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.04 -41.09 91.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.977 . . . . 0.0 110.279 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -59.97 -40.12 88.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.162 -0.961 . . . . 0.0 110.184 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.94 -0.8 57.78 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.128 -0.983 . . . . 0.0 109.397 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.27 -19.59 50.18 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.454 ' H ' ' CD ' ' B' ' 5' ' ' GLU . 49.7 m . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.6 mp0 -60.19 -43.38 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.161 -0.962 . . . . 0.0 111.347 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.03 -41.86 90.35 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.353 -1.467 . . . . 0.0 111.428 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' B' ' 2' ' ' SER . 14.1 pt-20 -69.96 -23.45 63.19 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.364 -1.46 . . . . 0.0 109.202 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 -42.18 93.55 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 122.015 0.912 . . . . 0.0 109.167 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.94 -27.48 54.87 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.6 mmm -65.63 -52.86 48.67 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.447 -1.408 . . . . 0.0 109.691 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.83 -32.03 71.44 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.088 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.71 -56.7 8.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.71 -1.244 . . . . 0.0 110.348 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -47.6 -39.61 17.25 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.249 -1.532 . . . . 0.0 108.968 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.402 HG22 HD12 ' B' ' 12' ' ' ILE . 90.3 mt -68.64 -40.06 81.22 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 O-C-N 121.346 -0.846 . . . . 0.0 111.615 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -76.77 -41.86 43.07 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.008 -1.683 . . . . 0.0 112.087 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.49 ' CG2' ' N ' ' B' ' 15' ' ' PHE . 10.1 m -60.36 -45.01 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.079 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.49 ' N ' ' CG2' ' B' ' 14' ' ' VAL . 6.5 t80 -60.05 -40.41 89.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.787 -0.571 . . . . 0.0 109.667 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -61.23 -36.12 79.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.371 -1.455 . . . . 0.0 109.184 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.74 -56.15 23.9 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 3.9 t60 -84.47 -40.14 18.06 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.867 -1.146 . . . . 0.0 111.262 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.467 ' O ' ' O ' ' B' ' 24' ' ' ASP . 6.9 m -60.18 -29.53 68.75 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.3 -0.875 . . . . 0.0 113.052 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.36 10.03 42.49 Favored Glycine 0 N--CA 1.505 3.268 0 O-C-N 120.815 -1.178 . . . . 0.0 112.623 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -115.77 -62.33 1.61 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-N 119.553 1.677 . . . . 0.0 109.023 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -99.82 76.83 1.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.49 -155.22 26.02 Favored Glycine 0 N--CA 1.487 2.091 0 C-N-CA 119.407 -1.378 . . . . 0.0 110.854 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 55.6 t0 -82.53 153.01 25.76 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.78 -0.835 . . . . 0.0 108.78 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.535 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 8.3 mtmp? -57.16 -53.92 52.59 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 112.689 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 65.2 t80 -117.48 22.74 12.22 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 120.407 -1.433 . . . . 0.0 112.456 -177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -133.0 140.05 47.55 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.144 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -94.04 157.85 15.9 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.567 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 68.6 m -130.57 168.11 17.62 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.927 -1.108 . . . . 0.0 110.015 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.544 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 48.0 tptt -47.76 -38.85 16.39 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.339 -0.85 . . . . 0.0 111.005 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.421 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 79.5 tttt -82.01 -31.13 31.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.151 -1.593 . . . . 0.0 110.436 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' H ' ' B' ' 29' ' ' SER . 46.8 mt-10 -69.92 -40.02 75.82 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.481 -1.387 . . . . 0.0 110.473 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 3.4 pp -65.3 -42.24 93.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.97 -1.081 . . . . 0.0 110.47 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.602 ' NZ ' ' NE2' ' B' ' 48' ' ' GLN . 52.5 tttm -62.27 -38.82 90.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 112.049 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 3.4 p30 -80.61 -37.69 30.68 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.028 -1.045 . . . . 0.0 111.347 -177.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 44.5 tp -59.99 -49.75 76.45 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.983 -1.073 . . . . 0.0 109.203 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 4.9 mp -69.23 -42.48 75.62 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.884 0.849 . . . . 0.0 110.582 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.412 ' NE2' ' OG ' ' B' ' 42' ' ' SER . 51.8 tp60 -69.97 -36.58 75.31 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.546 -0.721 . . . . 0.0 110.915 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 97.2 m -59.95 -50.78 72.41 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.492 -175.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -97.76 -13.6 21.3 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.984 -1.073 . . . . 0.0 111.523 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -128.74 44.49 2.95 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.412 ' OG ' ' NE2' ' B' ' 38' ' ' GLN . 13.8 t -60.0 -49.97 75.59 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.599 0.714 . . . . 0.0 110.583 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 83.6 p -79.49 -17.69 53.6 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.66 -0.65 . . . . 0.0 111.935 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' B' ' 45' ' ' LEU . 13.6 t80 -96.42 -92.11 0.22 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.445 -1.409 . . . . 0.0 113.268 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -37.84 160.03 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -176.016 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 1.0 OUTLIER -91.99 113.02 25.18 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 119.053 -2.279 . . . . 0.0 109.59 178.111 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -144.91 -83.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 120.707 -1.246 . . . . 0.0 109.432 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.602 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 41.5 mm-40 -60.04 -40.08 88.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 0.0 111.534 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 43' ' ' SER . 44.0 mtmt -67.64 -19.75 65.24 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -144.46 90.74 2.12 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.01 76.4 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.9 -34.25 71.46 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.86 86.83 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.972 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -36.26 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.413 -1.429 . . . . 0.0 108.437 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.544 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.5 m-20 -68.33 -40.25 81.66 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.198 -0.939 . . . . 0.0 111.801 -178.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.421 ' HZ2' ' CD ' ' Y' ' 9' ' ' LYS . 95.6 mttt -70.39 -39.97 74.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.854 -1.154 . . . . 0.0 110.185 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 81.2 mt -67.44 -54.3 24.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 CA-C-O 121.872 0.844 . . . . 0.0 110.511 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.458 ' O ' ' N ' ' B' ' 62' ' ' ASP . 18.8 ttt -60.02 -37.21 79.08 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.421 0.629 . . . . 0.0 109.98 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -60.08 -45.7 92.03 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -58.88 -22.8 60.02 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.578 ' C ' ' H ' ' B' ' 63' ' ' GLU . 67.6 mt -96.74 -21.09 17.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.404 -0.81 . . . . 0.0 110.152 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' B' ' 58' ' ' MET . 85.0 m-20 -73.3 43.56 0.13 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.578 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.1 mm-40 -60.45 -40.23 90.4 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.661 -0.815 . . . . 0.0 109.735 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -77.94 -19.38 54.72 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.85 35.71 53.99 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -92.43 -9.2 42.42 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.437 -1.037 . . . . 0.0 111.606 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.02 12.72 75.64 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -133.55 174.7 10.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 13.0 t -132.05 129.11 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 120.764 -1.21 . . . . 0.0 109.475 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -98.79 152.58 19.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.991 -1.068 . . . . 0.0 109.064 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 11.0 t80 -50.06 -19.98 0.86 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.496 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 1.4 mp0 -78.08 -24.23 47.71 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.842 -1.161 . . . . 0.0 108.404 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 70' ' ' ASP . 80.7 mt-10 -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.592 0.711 . . . . 0.0 110.005 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -63.67 -47.02 82.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.776 -0.578 . . . . 0.0 110.595 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.1 -40.01 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.985 -1.072 . . . . 0.0 109.836 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.55 -40.76 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.832 -1.167 . . . . 0.0 109.942 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.434 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.1 tm? -63.38 -50.28 70.52 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.223 -0.923 . . . . 0.0 112.53 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.4 m -60.03 -39.49 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.462 -1.399 . . . . 0.0 109.313 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.46 86.01 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 121.769 0.795 . . . . 0.0 109.657 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.43 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -79.38 -26.41 41.99 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.18 -47.61 10.67 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.365 -2.084 . . . . 0.0 109.012 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.404 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 8.8 t -48.24 -45.74 34.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.693 -0.63 . . . . 0.0 109.52 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 14.6 m -60.04 -41.92 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 0.0 110.496 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.1 -26.72 66.43 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.358 -0.839 . . . . 0.0 109.299 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -74.35 -45.78 44.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.08 -40.99 91.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -60.16 -39.97 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.124 -0.985 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.91 -0.82 57.78 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.085 -1.009 . . . . 0.0 109.545 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -79.36 -19.66 49.68 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.564 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 p-10 -149.14 9.67 0.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.157 -0.964 . . . . 0.0 109.43 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.591 ' O ' ' N ' ' X' ' 10' ' ' ILE . 8.5 p-90 -69.91 -23.32 63.21 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.212 -1.555 . . . . 0.0 110.105 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' X' ' 7' ' ' TRP . 60.8 t30 -52.97 -32.68 47.44 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 119.421 -2.049 . . . . 0.0 106.197 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' X' ' 12' ' ' SER . 86.3 tttt -63.26 -30.15 71.34 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -42.16 -46.57 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.753 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.547 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 54.9 tp -64.97 -40.17 94.6 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.497 ' N ' ' O ' ' X' ' 9' ' ' LYS . 2.1 t . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.378 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.461 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 41.9 pt . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -120.88 9.81 10.74 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.027 -1.045 . . . . 0.0 109.251 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 63.7 t90 -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.165 -0.96 . . . . 0.0 111.414 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.467 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 1.2 t-20 -51.4 -34.13 33.29 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 119.356 -2.09 . . . . 0.0 109.467 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.19 -23.2 54.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 7.5 tt -52.39 -40.2 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 177.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.472 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 27.8 tp -76.85 -39.9 49.6 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.562 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' Y' ' 11' ' ' LEU . 2.1 p . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.289 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.52 2.568 . . . . 0.0 119.52 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -83.34 158.24 22.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.237 -1.155 . . . . 0.0 109.782 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -41.62 -57.19 2.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.546 -0.721 . . . . 0.0 110.923 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.14 -42.29 84.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.064 -1.022 . . . . 0.0 110.927 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.06 -38.06 81.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.875 -1.14 . . . . 0.0 109.575 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.3 m -54.27 -48.8 70.81 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.002 0.906 . . . . 0.0 110.167 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -26.74 67.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.8 ttt -71.08 -49.06 48.59 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.38 -1.45 . . . . 0.0 110.482 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.96 -26.85 64.31 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.536 -0.727 . . . . 0.0 110.375 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.69 -56.71 13.62 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.856 -1.152 . . . . 0.0 109.024 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.0 mp -59.42 -39.42 83.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.168 -1.582 . . . . 0.0 110.398 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.448 HD13 HG23 ' A' ' 12' ' ' ILE . 73.6 mt -64.16 -39.88 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.426 -1.421 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.47 -41.87 26.55 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.82 -1.8 . . . . 0.0 112.195 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 8.2 p -61.61 -42.05 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.287 . . . . 0.0 109.483 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 5.9 t80 -60.09 -39.94 87.84 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.611 -0.68 . . . . 0.0 109.561 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 12' ' ' ILE . 29.0 m80 -62.59 -36.24 82.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.543 -1.348 . . . . 0.0 109.984 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.44 31.89 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.143 -0.973 . . . . 0.0 112.907 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -83.16 -40.77 19.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.968 -1.083 . . . . 0.0 112.252 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -61.32 -31.1 70.95 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.07 15.31 56.7 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 120.614 -1.303 . . . . 0.0 113.087 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.8 -57.83 2.18 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 120.07 1.935 . . . . 0.0 110.322 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -101.48 23.21 11.43 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.168 -0.958 . . . . 0.0 111.339 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.23 -166.63 23.46 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 118.393 -1.86 . . . . 0.0 111.943 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -58.73 140.41 54.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.918 -0.754 . . . . 0.0 109.247 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.08 -50.0 59.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.387 -0.82 . . . . 0.0 111.892 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -108.94 19.96 18.99 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.745 -1.222 . . . . 0.0 112.078 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -136.48 144.54 44.4 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.503 -1.373 . . . . 0.0 110.768 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -92.55 117.62 30.14 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.253 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -77.34 159.93 29.18 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 119.822 -1.799 . . . . 0.0 108.649 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.94 -38.07 2.09 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.13 -0.981 . . . . 0.0 110.543 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -80.31 -27.85 38.36 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.487 -1.383 . . . . 0.0 110.124 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.92 -40.13 72.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.586 -1.321 . . . . 0.0 110.716 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 2.8 pp -63.79 -44.17 94.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.678 -1.264 . . . . 0.0 109.847 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.447 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 72.2 tttt -64.06 -39.77 94.81 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.446 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.13 -39.95 75.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.766 -1.209 . . . . 0.0 110.908 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.07 -47.47 84.56 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.61 -0.681 . . . . 0.0 110.582 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.94 -49.08 55.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.73 . . . . 0.0 112.359 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 12.7 pt20 -65.66 -40.43 92.42 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 96.4 m -48.91 -49.96 37.44 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.199 -0.938 . . . . 0.0 111.427 -174.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.04 -13.03 20.04 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.204 -0.935 . . . . 0.0 110.338 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 mt -132.75 40.8 3.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -60.02 -50.71 72.65 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.726 0.774 . . . . 0.0 110.684 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -81.55 -17.63 47.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.668 -0.645 . . . . 0.0 112.268 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -84.07 -105.86 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.096 -1.627 . . . . 0.0 110.476 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.645 ' O ' ' O ' ' A' ' 44' ' ' PHE . 8.4 mp -16.33 153.5 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.895 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.423 174.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -92.95 108.71 20.21 Favored 'General case' 0 N--CA 1.511 2.608 0 CA-C-N 123.547 2.885 . . . . 0.0 109.013 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.498 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -148.18 -61.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 120.166 -1.584 . . . . 0.0 108.678 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.7 mm100 -70.02 -40.27 75.3 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.015 . . . . 0.0 110.243 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.27 -21.82 62.92 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -139.8 90.51 2.4 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.74 67.27 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.03 -37.39 79.64 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.2 81.36 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.683 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -39.14 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.115 -1.616 . . . . 0.0 107.924 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.65 -39.96 94.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.763 -0.586 . . . . 0.0 111.712 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.65 -40.14 96.1 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.812 -1.18 . . . . 0.0 110.08 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.09 -41.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.633 0.73 . . . . 0.0 110.067 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.588 -0.695 . . . . 0.0 111.374 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -65.52 -36.88 85.15 Favored 'General case' 0 C--N 1.289 -2.048 0 C-N-CA 117.998 -1.481 . . . . 0.0 107.11 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.67 -30.27 71.4 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 63' ' ' GLU . 25.1 mt -90.89 -18.65 24.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.497 -0.752 . . . . 0.0 110.542 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 87.0 m-20 -77.96 43.35 0.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.654 -1.279 . . . . 0.0 108.403 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.5 mt-10 -60.09 -40.59 90.13 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.804 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.08 -18.74 57.8 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.19 33.68 58.93 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.108 -1.997 . . . . 0.0 108.108 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' O ' ' OE2' ' A' ' 68' ' ' GLU . 33.3 p-10 -89.98 -8.99 50.35 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.374 -1.074 . . . . 0.0 111.985 -177.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.98 6.85 88.96 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 66' ' ' ASP . 10.0 mp0 -142.31 169.34 17.76 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.28 125.74 68.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' GLU . 83.9 m-20 -90.79 146.48 23.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.438 ' CE2' ' CG ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -42.65 -32.18 0.55 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.238 -0.914 . . . . 0.0 110.52 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.99 -27.48 64.74 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 109.16 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' ASP . 86.5 mt-10 -82.37 -42.76 18.26 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.936 0.874 . . . . 0.0 109.914 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.82 -49.81 60.23 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.476 -0.765 . . . . 0.0 111.254 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.4 p -59.98 -34.2 55.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.269 -0.895 . . . . 0.0 110.591 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -33.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.439 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.456 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.2 tm? -69.42 -55.01 11.55 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.606 -0.684 . . . . 0.0 112.001 -177.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.6 m -60.19 -35.39 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 CA-C-O 122.555 1.169 . . . . 0.0 109.42 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.94 92.1 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.797 0.808 . . . . 0.0 110.199 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.34 57.92 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -70.95 -39.97 72.29 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 119.36 -2.088 . . . . 0.0 109.899 -177.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.575 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 2.2 t -60.15 -49.81 76.16 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.779 -1.2 . . . . 0.0 110.97 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.3 m -60.05 -40.55 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.829 -1.17 . . . . 0.0 109.843 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.46 -25.79 68.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.561 -0.712 . . . . 0.0 109.12 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.552 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 54.1 t -69.34 -41.36 76.74 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.122 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.74 -40.61 93.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.939 -1.101 . . . . 0.0 108.813 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.42 -39.85 92.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.616 -0.678 . . . . 0.0 109.704 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 64.6 t80 -77.46 -10.42 59.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.483 -0.761 . . . . 0.0 110.006 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 3.5 m-85 -90.85 -20.82 21.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.079 -1.013 . . . . 0.0 109.026 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.333 -0.855 . . . . 0.0 110.046 -179.292 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.482 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 76.0 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.309 0.575 . . . . 0.0 109.697 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -41.74 -57.22 2.4 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.506 -0.746 . . . . 0.0 110.926 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.05 -42.08 85.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 110.945 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.482 ' H ' ' HG ' ' B' ' 2' ' ' SER . 15.2 tm-20 -59.96 -38.15 81.62 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.928 -1.108 . . . . 0.0 109.602 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.436 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -54.48 -48.6 71.62 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 122.003 0.906 . . . . 0.0 110.256 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.04 -26.95 67.75 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.3 ttt -71.13 -48.98 48.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.323 -1.486 . . . . 0.0 110.505 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.561 -0.712 . . . . 0.0 110.457 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -63.7 -56.66 13.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.824 -1.172 . . . . 0.0 109.131 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 8.0 mp -59.38 -39.48 83.47 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.185 -1.572 . . . . 0.0 110.507 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.428 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 72.5 mt -64.08 -39.96 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.474 -1.391 . . . . 0.0 112.125 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.44 -41.98 26.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 119.873 -1.767 . . . . 0.0 112.204 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 9.2 p -61.34 -42.12 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.655 -1.278 . . . . 0.0 109.43 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 6.1 t80 -60.03 -40.1 88.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.637 -0.665 . . . . 0.0 109.556 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' B' ' 12' ' ' ILE . 29.3 m80 -62.44 -36.54 82.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.672 -1.267 . . . . 0.0 110.03 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.35 -55.51 30.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.198 -0.939 . . . . 0.0 112.902 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -83.02 -40.84 19.41 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.954 -1.091 . . . . 0.0 112.312 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -61.34 -31.01 70.87 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.93 15.19 56.99 Favored Glycine 0 N--CA 1.502 3.076 0 O-C-N 120.517 -1.364 . . . . 0.0 113.139 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.86 -57.58 2.21 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.02 1.91 . . . . 0.0 110.379 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -101.91 23.26 11.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 111.267 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.12 -166.96 23.88 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 118.528 -1.796 . . . . 0.0 111.933 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -58.54 140.49 54.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.9 -0.765 . . . . 0.0 109.308 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -51.35 -49.92 60.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.373 -0.829 . . . . 0.0 111.912 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.82 20.11 18.86 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.789 -1.195 . . . . 0.0 112.101 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -136.68 144.47 43.96 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.525 -1.36 . . . . 0.0 110.655 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -92.27 117.76 30.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.307 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -77.47 159.94 29.03 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 119.754 -1.841 . . . . 0.0 108.511 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -43.07 -38.04 2.2 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.25 -0.906 . . . . 0.0 110.451 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -80.16 -27.8 38.94 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.501 -1.374 . . . . 0.0 110.164 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.06 -40.12 71.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.551 -1.343 . . . . 0.0 110.654 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.448 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 2.9 pp -63.8 -44.09 94.35 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.685 -1.259 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.448 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 73.0 tttt -64.01 -39.98 95.32 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.229 -0.989 . . . . 0.0 111.464 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.95 -40.04 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.733 -1.23 . . . . 0.0 111.115 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.94 -47.61 84.13 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.579 -0.701 . . . . 0.0 110.629 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.0 -49.02 55.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 112.384 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.3 pt20 -65.54 -40.45 92.91 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 98.5 m -48.87 -49.95 37.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.13 -0.981 . . . . 0.0 111.415 -174.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -99.01 -13.23 19.98 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.234 -0.916 . . . . 0.0 110.304 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 51.9 mt -132.32 40.64 3.29 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.5 t -60.09 -50.76 72.45 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.672 0.748 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -81.59 -16.62 51.02 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.64 -0.663 . . . . 0.0 112.206 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.7 t80 -85.64 -92.37 0.09 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.16 -1.588 . . . . 0.0 112.246 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 44' ' ' PHE . 8.1 mp -39.93 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.467 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.3 t0 -93.06 107.89 19.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.328 -2.107 . . . . 0.0 108.634 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.0 m -148.14 -61.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 120.549 -1.344 . . . . 0.0 108.304 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.8 mm100 -70.11 -40.56 74.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.242 -0.911 . . . . 0.0 110.274 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -69.98 -22.1 63.17 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -139.87 90.51 2.39 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.68 67.22 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.94 -37.36 79.31 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.83 85.43 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.361 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.98 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.163 -1.586 . . . . 0.0 108.147 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.71 -40.14 94.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.622 -0.674 . . . . 0.0 111.742 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.52 -40.13 96.24 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.662 -1.274 . . . . 0.0 110.133 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.08 -41.88 67.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 O-C-N 121.496 -0.752 . . . . 0.0 110.158 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -64.34 -39.93 94.87 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.551 -0.718 . . . . 0.0 111.392 -177.494 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -65.36 -36.76 84.97 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 118.004 -1.478 . . . . 0.0 107.089 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 78.0 tt0 -64.71 -27.65 69.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' B' ' 63' ' ' GLU . 24.5 mt -92.99 -18.62 22.48 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 86.5 m-20 -77.98 43.11 0.42 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.778 -1.201 . . . . 0.0 108.396 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.4 mt-10 -60.02 -40.73 90.28 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.582 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -76.85 -18.99 58.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.45 33.52 58.5 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.435 ' O ' ' OE2' ' B' ' 68' ' ' GLU . 32.8 p-10 -89.98 -9.14 49.81 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.417 -1.049 . . . . 0.0 111.987 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.97 7.11 88.8 Favored Glycine 0 N--CA 1.503 3.104 0 N-CA-C 109.666 -1.373 . . . . 0.0 109.666 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 66' ' ' ASP . 9.8 mp0 -142.58 169.3 17.84 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -111.1 125.69 68.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.122 -0.986 . . . . 0.0 109.881 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' B' ' 73' ' ' GLU . 84.5 m-20 -90.72 146.54 23.92 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.433 ' CE2' ' CG ' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -42.58 -32.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 110.582 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.95 -27.56 64.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 119.999 -1.688 . . . . 0.0 109.153 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 70' ' ' ASP . 85.4 mt-10 -82.46 -42.57 18.34 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.843 0.83 . . . . 0.0 109.828 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -67.98 -49.67 60.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.452 -0.78 . . . . 0.0 111.262 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.03 -34.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.232 -0.917 . . . . 0.0 110.648 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -33.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.503 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.2 tm? -69.6 -54.97 11.43 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.627 -0.671 . . . . 0.0 111.917 -177.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.17 -35.33 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 122.479 1.133 . . . . 0.0 109.405 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -39.94 91.63 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.937 0.875 . . . . 0.0 110.196 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.96 -34.89 57.55 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -71.38 -39.78 71.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 119.254 -2.154 . . . . 0.0 110.045 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.557 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 2.1 t -59.94 -49.84 76.1 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.854 -1.154 . . . . 0.0 110.995 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 m -59.86 -40.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 120.837 -1.164 . . . . 0.0 109.885 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.58 -25.54 68.01 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.467 -0.77 . . . . 0.0 109.164 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 52.7 t -69.07 -41.85 77.0 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.969 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.6 -40.38 91.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.839 -1.163 . . . . 0.0 108.894 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.6 -39.85 92.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.488 0.661 . . . . 0.0 109.735 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 64.6 t80 -77.53 -10.12 59.31 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.414 -0.804 . . . . 0.0 110.014 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.5 m-85 -91.0 -20.86 21.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.036 -1.04 . . . . 0.0 108.985 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.348 -0.845 . . . . 0.0 109.995 -179.306 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.521 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.7 pt . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -110.9 17.56 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 121.972 0.891 . . . . 0.0 109.086 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.537 ' O ' ' N ' ' X' ' 10' ' ' ILE . 84.6 t90 -64.3 -53.77 43.67 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.973 -1.079 . . . . 0.0 112.35 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.526 HD21 ' H ' ' A' ' 46' ' ' ASP . 3.6 t-20 -51.9 -31.98 30.61 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.313 -2.117 . . . . 0.0 109.215 -178.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' X' ' 12' ' ' SER . 68.7 mttm -59.99 -22.94 63.21 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -49.87 -38.66 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 44.2 tp -75.66 -33.15 60.42 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 176.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.559 ' N ' ' O ' ' X' ' 9' ' ' LYS . 28.0 t . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.051 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.097 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -139.11 11.46 2.6 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.567 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 38.8 t90 -58.29 -43.22 87.97 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.643 -0.661 . . . . 0.0 109.744 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -52.75 -30.37 32.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.854 -1.779 . . . . 0.0 107.189 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -56.13 -28.13 56.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.567 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -50.56 -36.99 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 47.5 tp -64.73 -40.03 94.63 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.867 -179.577 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.421 ' H2 ' ' CD ' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.527 4.712 0 N-CA-C 119.879 2.711 . . . . 0.0 119.879 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 m -81.04 154.73 26.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.031 -1.276 . . . . 0.0 109.172 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -46.57 -53.89 10.5 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.437 -0.79 . . . . 0.0 110.514 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.45 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 56.6 tp -66.94 -41.31 87.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.173 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.421 ' CD ' ' H2 ' ' A' ' 1' ' ' GLY . 89.2 tt0 -63.13 -40.34 97.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.333 -0.854 . . . . 0.0 109.468 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 10' ' ' THR . 30.0 m -48.07 -44.6 31.59 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.111 0.957 . . . . 0.0 109.394 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.39 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.036 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.7 ttt -69.84 -52.46 24.79 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.597 -1.314 . . . . 0.0 111.196 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -67.02 -29.61 69.48 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.141 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -60.56 -55.94 27.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 0.0 110.376 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.4 mp -58.74 -35.91 73.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.7 -1.875 . . . . 0.0 110.255 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.87 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 120.754 -1.216 . . . . 0.0 112.598 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.28 -39.53 25.1 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 119.639 -1.913 . . . . 0.0 112.038 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 10.6 p -60.0 -42.55 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.479 -1.388 . . . . 0.0 108.794 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.426 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 19.2 t80 -61.71 -40.09 93.83 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.283 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -61.63 -38.44 87.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.597 -1.315 . . . . 0.0 110.67 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.06 -55.74 30.84 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -80.08 -43.45 21.75 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 24' ' ' ASP . 42.5 t -54.92 -28.21 49.17 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.78 11.21 25.32 Favored Glycine 0 N--CA 1.507 3.367 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.492 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' A' ' 23' ' ' GLY . 66.9 mttm -123.18 -74.77 0.61 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 118.986 1.393 . . . . 0.0 108.512 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.32 21.05 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.245 -0.91 . . . . 0.0 111.095 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 179.81 -165.06 33.35 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 118.441 -1.838 . . . . 0.0 111.953 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.4 m-20 -45.35 153.26 0.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.844 0.831 . . . . 0.0 110.608 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -52.22 -54.12 35.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.541 -0.724 . . . . 0.0 112.248 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -131.62 32.61 4.12 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.788 -1.195 . . . . 0.0 111.775 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -133.36 141.91 48.15 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.774 -1.204 . . . . 0.0 108.365 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -99.02 111.65 23.99 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.792 0.806 . . . . 0.0 110.248 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' LYS . 64.0 m -81.33 162.09 23.57 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.064 -1.647 . . . . 0.0 108.882 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.466 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 52.0 tttt -44.89 -30.75 1.05 Allowed 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -82.89 -29.56 29.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.619 -1.301 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.93 -42.14 73.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.801 -1.187 . . . . 0.0 109.745 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 2.3 pp -62.99 -45.73 91.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.006 -1.059 . . . . 0.0 110.236 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 75.9 tttt -62.06 -39.66 93.16 Favored 'General case' 0 C--O 1.197 -1.697 0 O-C-N 121.017 -1.052 . . . . 0.0 111.805 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 57.1 t0 -72.45 -39.54 67.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.806 -1.184 . . . . 0.0 110.502 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.15 -50.72 72.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 110.467 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 2.8 mm? -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.003 0.906 . . . . 0.0 110.525 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.529 ' NE2' ' NE2' ' A' ' 48' ' ' GLN . 43.9 tt0 -65.81 -40.86 92.28 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.489 -0.757 . . . . 0.0 112.553 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.403 ' OG1' ' OD1' ' A' ' 35' ' ' ASP . 92.8 m -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.984 -1.073 . . . . 0.0 112.53 -174.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -94.5 -12.84 26.87 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.64 -1.287 . . . . 0.0 110.444 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.8 mt -131.85 34.09 3.9 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.523 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -50.92 -59.55 4.02 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 p -75.68 -21.49 57.58 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.615 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.8 t80 -83.24 -104.22 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 O-C-N 119.974 -1.704 . . . . 0.0 110.798 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' A' ' 44' ' ' PHE . 7.1 mp -14.86 147.09 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.77 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.496 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.526 ' H ' HD21 ' X' ' 8' ' ' ASN . 44.5 t0 -91.23 104.16 16.75 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-N 124.912 3.505 . . . . 0.0 108.89 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 1.1 m -140.86 -44.83 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 120.637 -1.29 . . . . 0.0 109.44 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.529 ' NE2' ' NE2' ' A' ' 38' ' ' GLN . 48.2 mt-30 -78.32 -59.27 2.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.687 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 1.6 mptp? -49.74 -59.53 3.73 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.348 -0.845 . . . . 0.0 108.977 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 53' ' ' ALA . 97.0 m-20 -98.68 84.55 3.16 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 108.965 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.5 -26.37 12.86 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.13 -37.92 86.98 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.14 -38.61 80.09 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.091 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -35.74 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.576 -1.327 . . . . 0.0 108.867 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 94.6 m-20 -67.14 -39.96 86.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.174 -0.954 . . . . 0.0 110.766 -177.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.925 -1.11 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.8 mt -67.65 -53.16 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' ASP . 24.6 ttt -60.04 -36.77 78.0 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.498 -0.751 . . . . 0.0 109.075 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.23 -48.86 80.03 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' OE2' ' C ' ' X' ' 12' ' ' SER . 96.0 mt-10 -60.23 -24.28 64.73 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.559 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.4 mt -91.57 -22.03 20.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.772 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.4 m-20 -74.49 44.46 0.21 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.559 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -60.32 -42.06 94.81 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.08 -19.32 58.67 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.88 34.92 51.88 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 107.443 -2.263 . . . . 0.0 107.443 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 32.4 p-10 -91.87 -8.98 44.96 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.647 -0.913 . . . . 0.0 111.644 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.94 88.13 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -136.2 176.6 8.55 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 t -125.95 127.72 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.761 -1.212 . . . . 0.0 108.697 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.2 t0 -95.97 152.96 18.04 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.502 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 32.0 t80 -48.96 -24.74 1.61 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.664 -0.648 . . . . 0.0 110.078 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -74.48 -26.35 59.96 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.852 -1.155 . . . . 0.0 108.661 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ASP . 82.6 mt-10 -85.67 -45.52 11.61 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 109.958 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.32 -50.38 71.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.126 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.1 -38.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.87 -39.75 80.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 120.817 -1.177 . . . . 0.0 108.721 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.1 tm? -63.22 -53.48 52.36 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -55.64 -38.07 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.848 -1.158 . . . . 0.0 109.204 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.92 89.25 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.389 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.44 -33.31 48.58 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.547 ' CD1' ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -77.12 -39.33 49.79 Favored 'General case' 0 N--CA 1.515 2.783 0 O-C-N 118.835 -2.416 . . . . 0.0 109.37 -179.436 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.547 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -59.73 -43.14 94.33 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.238 -0.914 . . . . 0.0 110.835 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 8.6 m -59.93 -41.86 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' N ' HG21 ' A' ' 83' ' ' VAL . . . -64.88 -28.17 69.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.0 t -67.92 -42.07 81.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.8 -40.62 88.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 108.756 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.39 -34.71 77.25 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.635 -0.666 . . . . 0.0 109.308 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 59.0 t80 -79.62 -9.46 59.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.392 -0.818 . . . . 0.0 110.195 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -94.21 -23.94 17.69 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.942 -1.099 . . . . 0.0 109.735 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 t90 . . . . . 0 N--CA 1.496 1.846 0 O-C-N 121.218 -0.926 . . . . 0.0 109.747 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.5 0.667 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -46.17 -55.14 7.48 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.497 -0.752 . . . . 0.0 110.377 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.55 -42.0 92.37 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.238 -0.914 . . . . 0.0 109.067 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.04 -40.22 97.06 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.293 -0.88 . . . . 0.0 109.368 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.441 ' O ' ' OG1' ' B' ' 10' ' ' THR . 31.0 m -47.87 -44.52 29.39 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.223 1.011 . . . . 0.0 109.364 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.32 69.12 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.256 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ttt -69.98 -51.91 28.59 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.654 -1.279 . . . . 0.0 111.06 -177.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.29 -2.006 0 O-C-N 121.55 -0.718 . . . . 0.0 110.169 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -60.37 -56.19 24.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 110.487 -179.227 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 8.6 mp -57.78 -36.5 72.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 119.84 -1.788 . . . . 0.0 110.303 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.58 -39.6 84.28 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 120.97 -1.081 . . . . 0.0 112.688 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.12 -39.69 22.95 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.744 -1.847 . . . . 0.0 112.276 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 10.7 p -59.97 -42.32 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.687 -1.258 . . . . 0.0 108.607 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.446 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 27.1 t80 -61.94 -39.87 93.56 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -61.53 -39.12 89.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.738 -1.227 . . . . 0.0 110.442 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.93 -55.46 34.35 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -80.15 -43.19 22.06 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.022 -1.049 . . . . 0.0 111.515 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . 34.6 t -55.06 -28.69 54.17 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.69 11.62 25.44 Favored Glycine 0 N--CA 1.506 3.311 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.329 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' B' ' 23' ' ' GLY . 67.0 mttm -123.26 -74.65 0.61 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.896 1.348 . . . . 0.0 108.534 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.54 20.41 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.064 -1.023 . . . . 0.0 110.947 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -178.84 -164.02 30.95 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 118.317 -1.896 . . . . 0.0 112.106 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 19' ' ' SER . 96.0 m-20 -45.89 152.61 0.35 Allowed 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.605 0.717 . . . . 0.0 110.689 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -51.81 -54.18 31.71 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.476 -0.765 . . . . 0.0 111.91 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -131.13 31.44 4.42 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 120.759 -1.213 . . . . 0.0 112.206 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -132.3 142.12 49.24 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.892 -1.13 . . . . 0.0 108.305 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 tp -99.26 111.4 23.79 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.829 0.823 . . . . 0.0 109.942 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' LYS . 68.5 m -81.07 161.86 23.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.066 -1.646 . . . . 0.0 108.691 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.49 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 55.1 tttt -45.32 -30.13 1.21 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.823 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -82.79 -29.45 29.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.486 -1.383 . . . . 0.0 109.469 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.92 -41.66 74.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.815 -1.178 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 2.4 pp -63.54 -45.36 90.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.172 -0.955 . . . . 0.0 110.036 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.447 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 78.2 tttt -62.51 -39.78 94.62 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 120.851 -1.156 . . . . 0.0 111.782 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.421 ' OD1' ' OG1' ' B' ' 39' ' ' THR . 57.0 t0 -72.05 -38.99 69.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.95 -1.094 . . . . 0.0 110.63 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.82 -51.76 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.713 0.768 . . . . 0.0 110.348 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.7 mm? -70.18 -40.02 74.92 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.893 0.854 . . . . 0.0 110.385 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.509 ' O ' ' CA ' ' B' ' 42' ' ' SER . 45.0 tt0 -66.86 -40.65 87.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.506 -0.746 . . . . 0.0 112.527 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.421 ' OG1' ' OD1' ' B' ' 35' ' ' ASP . 92.0 m -59.42 -50.53 73.6 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.945 -1.097 . . . . 0.0 112.746 -174.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 89.2 mt-10 -94.36 -13.58 26.23 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.618 -1.301 . . . . 0.0 110.503 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 68.1 mt -131.33 34.44 3.98 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.548 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 0.6 OUTLIER -51.21 -58.55 5.86 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.571 0.701 . . . . 0.0 110.648 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -76.59 -19.94 57.32 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' B' ' 44' ' ' PHE . 1.8 t80 -85.25 -90.81 0.1 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.125 -1.609 . . . . 0.0 112.419 -177.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' B' ' 44' ' ' PHE . 6.1 mp -38.6 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 41.5 t0 -90.82 102.82 15.58 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 123.01 2.641 . . . . 0.0 108.522 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 1.4 m -139.88 -44.57 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.842 -1.161 . . . . 0.0 109.213 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.492 ' NE2' ' NE2' ' B' ' 38' ' ' GLN . 46.0 mt-30 -79.07 -59.87 2.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.255 -0.903 . . . . 0.0 109.732 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.548 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.1 mptp? -49.63 -59.56 3.67 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.379 -0.826 . . . . 0.0 108.852 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -98.09 86.54 3.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.942 . . . . 0.0 108.952 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.9 -26.95 27.51 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.22 -38.95 88.46 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -58.21 -40.02 80.51 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.978 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -35.43 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.341 -1.474 . . . . 0.0 108.962 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.49 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 94.4 m-20 -67.25 -39.8 86.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.25 -0.906 . . . . 0.0 110.965 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.85 -39.62 76.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.826 -1.171 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.0 mt -68.29 -53.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 110.394 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.469 ' O ' ' N ' ' B' ' 62' ' ' ASP . 24.4 ttt -60.07 -36.59 77.71 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -58.9 -48.99 79.48 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.9 -22.67 64.55 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.26 -0.9 . . . . 0.0 108.696 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.574 ' C ' ' H ' ' B' ' 63' ' ' GLU . 28.0 mt -92.38 -23.01 19.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.464 -0.772 . . . . 0.0 109.516 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -73.55 43.35 0.14 Allowed 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.574 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -59.89 -41.83 92.48 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -75.89 -19.73 58.6 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.47 35.4 52.1 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 33.4 p-10 -91.42 -9.53 44.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.561 -0.964 . . . . 0.0 111.546 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.16 7.47 88.44 Favored Glycine 0 N--CA 1.497 2.717 0 N-CA-C 109.954 -1.259 . . . . 0.0 109.954 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -136.85 176.67 8.49 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -126.09 127.5 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 108.855 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 43.6 t0 -96.05 152.81 18.19 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.867 0.841 . . . . 0.0 108.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.519 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 29.5 t80 -48.71 -25.08 1.62 Allowed 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.573 -0.705 . . . . 0.0 110.258 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -75.2 -25.03 57.9 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.761 -1.212 . . . . 0.0 108.54 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.3 mt-10 -86.17 -46.02 10.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.011 0.91 . . . . 0.0 109.727 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.41 -51.19 69.76 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.141 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.56 -38.12 77.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.289 -0.882 . . . . 0.0 110.012 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.17 -39.44 80.59 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.821 -1.174 . . . . 0.0 109.184 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.2 tm? -63.37 -54.03 43.29 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.244 -0.91 . . . . 0.0 112.395 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -54.9 -39.03 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.948 -1.095 . . . . 0.0 109.499 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.66 91.8 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.071 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.19 -34.0 56.26 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -76.89 -38.88 52.76 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.811 -2.43 . . . . 0.0 109.743 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.551 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 3.4 t -60.07 -42.0 93.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.469 -0.769 . . . . 0.0 110.85 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 12.8 m -60.78 -42.19 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.416 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.43 -29.11 70.17 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.76 -41.55 87.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.558 -0.714 . . . . 0.0 109.763 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.24 -40.38 90.06 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.187 -0.946 . . . . 0.0 108.833 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.0 -34.77 78.27 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.642 0.734 . . . . 0.0 109.299 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 56.8 t80 -79.08 -10.06 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.368 -0.832 . . . . 0.0 110.294 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -93.8 -24.33 17.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.951 -1.093 . . . . 0.0 109.75 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 t90 . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.15 -0.969 . . . . 0.0 109.735 -179.569 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' X' ' 7' ' ' TRP . 43.2 pt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.661 0.267 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 4.7 p-10 41.99 17.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.115 -0.99 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.554 ' N ' ' O ' ' X' ' 5' ' ' ILE . 31.9 t90 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.566 -1.334 . . . . 0.0 109.98 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.477 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.26 -29.88 16.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.458 -1.402 . . . . 0.0 108.629 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.433 ' O ' ' OXT' ' X' ' 12' ' ' SER . 73.6 tttt -60.0 -30.23 69.0 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' X' ' 7' ' ' TRP . 9.4 tt -49.01 -38.44 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 30.9 tp -67.84 -42.02 82.06 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.296 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.433 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 8.9 t . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.447 HD12 ' HZ3' ' B' ' 49' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.5 2.072 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -139.76 18.54 2.5 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.529 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 2.0 p-90 -60.49 -43.51 96.92 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.269 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 19.8 t30 -51.37 -39.69 57.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 119.726 -1.859 . . . . 0.0 108.894 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.457 ' NZ ' ' HZ3' ' B' ' 56' ' ' LYS . 31.0 mttm -60.2 -22.96 63.61 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -52.55 -36.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.441 ' N ' HG23 ' Y' ' 10' ' ' ILE . 47.6 tp -66.39 -40.07 89.43 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.765 -179.437 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.801 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.465 ' HG ' ' N ' ' A' ' 3' ' ' GLU . 45.1 t -74.26 157.19 36.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.249 -1.148 . . . . 0.0 109.379 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.465 ' N ' ' HG ' ' A' ' 2' ' ' SER . 98.0 mt-10 -45.48 -51.81 11.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.171 -0.956 . . . . 0.0 110.817 -178.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.73 -40.21 80.0 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.914 -1.116 . . . . 0.0 108.957 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.18 -39.32 86.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -0.977 . . . . 0.0 108.999 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 10' ' ' THR . 79.2 m -56.29 -49.52 74.03 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.89 0.852 . . . . 0.0 110.177 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -28.35 69.25 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.019 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -70.12 -50.09 44.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.676 -1.265 . . . . 0.0 110.364 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.9 -28.29 65.5 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.499 -0.75 . . . . 0.0 110.239 -177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.39 -59.85 4.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.997 -1.064 . . . . 0.0 108.942 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -47.19 -39.46 13.97 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.328 -1.483 . . . . 0.0 109.289 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 12' ' ' ILE . 80.6 mt -69.14 -24.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.229 -0.919 . . . . 0.0 110.406 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 10' ' ' THR . 95.5 m-20 -79.58 -54.21 6.11 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.003 -1.061 . . . . 0.0 112.588 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 9.2 p -65.87 -46.49 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 1.8 t80 -60.62 -40.15 90.82 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 121.352 -0.842 . . . . 0.0 109.835 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.576 -1.327 . . . . 0.0 109.722 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.01 -56.8 17.39 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.32 -40.18 64.68 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.926 -1.109 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 24' ' ' ASP . 26.2 p -67.67 -22.89 65.27 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.33 0.93 40.27 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.694 -1.254 . . . . 0.0 112.359 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.613 ' C ' ' H ' ' A' ' 23' ' ' GLY . 56.1 mtmt -124.4 -67.0 0.94 Allowed 'General case' 0 N--CA 1.502 2.125 0 CA-C-N 119.052 1.426 . . . . 0.0 109.407 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.2 17.73 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.116 -0.99 . . . . 0.0 109.96 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.613 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 178.39 -172.73 45.18 Favored Glycine 0 N--CA 1.487 2.07 0 C-N-CA 119.081 -1.533 . . . . 0.0 111.449 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 39.8 t0 -38.78 154.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 69.8 mttt -59.95 -48.12 83.01 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 113.052 -176.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -122.71 29.75 6.73 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 120.289 -1.507 . . . . 0.0 111.939 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -139.64 147.96 41.77 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.625 -1.297 . . . . 0.0 110.153 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 tp -92.85 153.98 18.51 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.846 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.532 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.8 t -128.38 156.21 43.49 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' SER . 23.4 tptm -43.17 -35.45 1.38 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.669 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -83.29 -27.2 29.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.083 -1.636 . . . . 0.0 110.697 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.532 ' HB2' ' H ' ' A' ' 29' ' ' SER . 52.4 mt-10 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.828 -1.17 . . . . 0.0 110.059 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -62.09 -43.26 99.22 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.775 -1.203 . . . . 0.0 108.837 178.464 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HZ1' ' CB ' ' A' ' 48' ' ' GLN . 5.2 tmtt? -57.65 -45.1 85.93 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.93 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.458 ' O ' ' OG1' ' A' ' 39' ' ' THR . 84.9 m-20 -76.53 -28.88 56.51 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.905 -1.122 . . . . 0.0 110.922 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.26 -50.11 73.01 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.774 -1.203 . . . . 0.0 110.141 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 10.8 mp -77.45 -40.64 42.57 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.162 0.982 . . . . 0.0 111.864 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -67.74 -40.0 84.18 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 122.042 0.925 . . . . 0.0 110.072 -177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 78.5 m -60.38 -49.96 75.5 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.271 -177.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -101.58 -21.25 14.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.201 -0.937 . . . . 0.0 111.972 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -133.62 64.16 1.61 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.864 -1.148 . . . . 0.0 110.44 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 p -74.21 -42.56 59.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.282 -0.886 . . . . 0.0 109.911 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -70.76 -41.58 71.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.3 -0.875 . . . . 0.0 112.016 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.598 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 t80 -88.18 -107.47 0.07 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.555 -1.341 . . . . 0.0 111.09 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.598 ' C ' ' O ' ' A' ' 44' ' ' PHE . 3.2 mm? -7.13 128.49 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.542 0 CA-C-O 114.834 -2.508 . . . . 0.0 108.853 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' X' ' 7' ' ' TRP . 1.3 m-20 -91.3 118.73 30.75 Favored 'General case' 0 N--CA 1.517 2.919 1 CA-C-N 128.002 4.91 . . . . 0.0 110.051 178.239 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 m -146.37 -41.2 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.315 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.45 ' CB ' ' HZ1' ' A' ' 34' ' ' LYS . 17.2 pt20 -98.39 -40.33 8.35 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.049 -1.032 . . . . 0.0 111.433 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.227 -0.921 . . . . 0.0 109.245 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -139.72 86.67 2.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.602 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -30.06 39.44 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -40.1 88.21 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.12 -41.22 96.32 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 118.806 -1.157 . . . . 0.0 109.598 -178.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -36.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.862 -1.149 . . . . 0.0 109.209 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -68.83 -40.02 79.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.023 -1.048 . . . . 0.0 111.272 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.95 -40.12 91.06 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.471 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.7 -53.52 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.562 -0.711 . . . . 0.0 111.274 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.97 81.76 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 110.964 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.9 90.65 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -65.5 -26.92 68.12 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.5 mt -85.27 -33.1 22.23 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.372 -0.83 . . . . 0.0 109.567 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -69.96 57.88 0.15 Allowed 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' LEU . 45.7 mt-10 -60.13 -39.72 87.28 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -70.41 -23.79 62.81 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.79 40.97 7.41 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.464 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 33.3 p-10 -99.02 -122.08 0.14 Allowed 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.635 1.217 . . . . 0.0 108.167 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.464 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -157.16 21.48 0.43 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -136.22 176.56 8.58 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.78 137.54 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.528 -1.358 . . . . 0.0 108.917 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 34.3 t0 -97.6 167.99 10.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.364 -0.835 . . . . 0.0 109.734 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' B' ' 86' ' ' ASN . 43.2 t80 -59.94 -35.48 75.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.595 -0.69 . . . . 0.0 109.414 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -70.04 -24.22 63.23 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.861 -1.15 . . . . 0.0 109.904 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 61' ' ' LEU . 49.1 mt-10 -83.59 -53.63 5.52 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.552 -0.718 . . . . 0.0 110.574 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -32.47 65.98 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.191 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 71' ' ' PHE . 54.9 t -60.04 -39.7 81.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 120.98 -1.075 . . . . 0.0 108.558 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.79 -40.08 81.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.412 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.2 tm? -62.49 -50.03 73.05 Favored 'General case' 0 N--CA 1.509 2.485 0 O-C-N 121.507 -0.746 . . . . 0.0 112.862 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 m -59.95 -32.92 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 120.176 -1.578 . . . . 0.0 109.853 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.89 -39.34 79.79 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.766 0.793 . . . . 0.0 110.022 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.49 -23.92 56.84 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.243 -0.91 . . . . 0.0 112.767 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.41 -41.56 16.55 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 119.812 -1.805 . . . . 0.0 109.977 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -52.91 -47.18 68.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.756 -1.215 . . . . 0.0 109.178 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 13.8 m -59.89 -40.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.208 -0.933 . . . . 0.0 110.051 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.23 -25.57 65.74 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -69.94 -38.83 76.3 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 108.945 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.567 ' ND2' ' CE2' ' B' ' 71' ' ' PHE . 66.4 m-20 -59.93 -36.3 76.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -59.99 -38.93 84.01 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.65 36.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.348 -0.845 . . . . 0.0 109.224 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.512 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 62.2 t80 -79.53 -10.96 59.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.938 -1.101 . . . . 0.0 109.193 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.946 . . . . 0.0 108.475 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -45.86 -51.57 12.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.74 -40.03 80.05 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.898 -1.126 . . . . 0.0 109.066 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.16 -39.35 86.08 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.095 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 10' ' ' THR . 82.9 m -56.24 -49.45 74.13 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.804 0.811 . . . . 0.0 110.166 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.2 69.13 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.135 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.33 -50.23 41.29 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.661 -1.274 . . . . 0.0 110.498 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.84 -28.52 65.75 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.15 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -62.05 -59.99 4.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.996 -1.065 . . . . 0.0 109.076 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' B' ' 10' ' ' THR . 9.1 mp -47.09 -39.71 13.77 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.185 -1.572 . . . . 0.0 109.295 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 12' ' ' ILE . 81.9 mt -68.97 -24.87 28.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.193 -0.942 . . . . 0.0 110.497 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 10' ' ' THR . 95.4 m-20 -79.63 -54.1 6.21 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.971 -1.08 . . . . 0.0 112.575 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 7.1 p -65.78 -46.54 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.411 -0.806 . . . . 0.0 110.914 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 1.6 t80 -60.69 -40.1 90.92 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.418 -0.801 . . . . 0.0 109.94 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.18 -39.65 87.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.478 -1.389 . . . . 0.0 109.672 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.0 14.76 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.13 -40.56 64.82 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.889 -1.132 . . . . 0.0 110.783 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.462 ' O ' ' O ' ' B' ' 24' ' ' ASP . 32.0 p -67.21 -22.96 65.69 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.31 0.91 40.33 Favored Glycine 0 N--CA 1.506 3.347 0 O-C-N 120.773 -1.204 . . . . 0.0 112.38 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.586 ' C ' ' H ' ' B' ' 23' ' ' GLY . 55.6 mtmt -124.41 -67.0 0.94 Allowed 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 119.087 1.444 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.96 17.25 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.119 -0.988 . . . . 0.0 109.919 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 178.73 -172.54 44.85 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.153 -1.499 . . . . 0.0 111.459 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 40.0 t0 -38.99 154.5 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.271 0.558 . . . . 0.0 109.733 -179.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.537 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 69.5 mttt -59.9 -48.11 83.04 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 113.037 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.59 29.53 6.86 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.226 -1.546 . . . . 0.0 112.078 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -139.4 147.48 41.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.593 -1.317 . . . . 0.0 110.184 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tp -92.31 154.0 18.86 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.86 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.514 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.2 t -128.44 156.19 43.59 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -43.11 -35.43 1.33 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.063 -1.023 . . . . 0.0 111.767 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -83.06 -27.57 30.17 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.109 -1.619 . . . . 0.0 110.727 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.514 ' HB2' ' H ' ' B' ' 29' ' ' SER . 53.0 mt-10 -70.87 -40.35 72.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.736 -1.228 . . . . 0.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -62.34 -42.92 99.78 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.712 -1.243 . . . . 0.0 108.939 178.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -57.32 -45.51 84.16 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.862 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.45 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.1 m-20 -76.42 -28.93 56.82 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.922 -1.111 . . . . 0.0 110.98 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.27 -49.97 73.56 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.813 -1.18 . . . . 0.0 110.141 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.445 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 10.9 mp -77.6 -40.65 41.36 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.114 0.959 . . . . 0.0 111.822 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -67.69 -40.02 84.39 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 122.179 0.99 . . . . 0.0 110.083 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 73.9 m -60.53 -49.86 75.86 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.684 -0.806 . . . . 0.0 111.253 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -101.55 -21.03 14.83 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.132 -0.98 . . . . 0.0 111.983 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -133.76 63.95 1.62 Allowed 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.786 -1.196 . . . . 0.0 110.454 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.5 p -74.04 -42.4 60.32 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.204 -0.935 . . . . 0.0 109.937 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.3 p -71.23 -40.62 70.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.117 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.5 t80 -89.4 -94.5 0.11 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.796 -1.19 . . . . 0.0 112.232 -178.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.573 ' C ' ' O ' ' B' ' 44' ' ' PHE . 2.5 mm? -29.84 136.17 0.04 OUTLIER 'General case' 0 N--CA 1.52 3.038 0 CA-C-O 116.898 -1.525 . . . . 0.0 107.615 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 2.7 m-20 -91.24 117.68 29.84 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 124.894 3.497 . . . . 0.0 109.661 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 m -146.87 -40.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.104 -0.997 . . . . 0.0 110.149 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -98.46 -40.23 8.37 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.02 -1.05 . . . . 0.0 111.432 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.447 ' HZ3' HD12 ' Y' ' 5' ' ' ILE . 51.2 mtmt -62.18 -27.41 68.95 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 109.197 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -139.7 86.79 2.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -29.94 38.96 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.97 -39.85 87.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.86 -42.81 98.6 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 118.866 -1.134 . . . . 0.0 109.121 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -36.01 64.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 120.761 -1.212 . . . . 0.0 109.384 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -68.84 -40.03 79.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.876 -1.14 . . . . 0.0 111.257 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.457 ' HZ3' ' NZ ' ' Y' ' 9' ' ' LYS . 62.4 mttp -66.02 -39.99 90.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.929 -1.107 . . . . 0.0 110.536 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.95 -53.39 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.6 -0.688 . . . . 0.0 111.098 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.905 -1.122 . . . . 0.0 111.051 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.67 90.3 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -66.58 -24.49 66.35 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' B' ' 63' ' ' GLU . 49.4 mt -87.15 -33.18 19.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -69.91 57.73 0.15 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' B' ' 61' ' ' LEU . 45.4 mt-10 -59.8 -40.01 86.89 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -70.29 -24.02 62.96 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.07 40.87 7.32 Favored Glycine 0 N--CA 1.482 1.756 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 33.5 p-10 -99.06 -122.46 0.15 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 118.603 1.202 . . . . 0.0 108.21 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.461 ' H ' ' CG ' ' B' ' 66' ' ' ASP . . . -156.74 21.64 0.46 Allowed Glycine 0 N--CA 1.498 2.82 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.24 176.53 8.61 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.46 137.85 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.489 -1.382 . . . . 0.0 108.964 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 33.7 t0 -97.86 167.92 10.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 109.68 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.567 ' CE2' ' ND2' ' A' ' 86' ' ' ASN . 43.3 t80 -59.97 -35.42 74.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.478 -0.764 . . . . 0.0 109.452 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -70.07 -24.19 63.2 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.941 -1.099 . . . . 0.0 109.854 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' B' ' 61' ' ' LEU . 49.2 mt-10 -83.68 -53.83 5.36 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.503 -0.748 . . . . 0.0 110.396 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -32.4 66.01 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.091 -1.005 . . . . 0.0 111.187 -178.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' B' ' 71' ' ' PHE . 54.3 t -59.79 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 121.042 -1.036 . . . . 0.0 108.445 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.8 -39.9 81.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 C-N-CA 119.041 -1.063 . . . . 0.0 108.403 178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.2 tm? -62.42 -50.11 72.79 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 121.481 -0.762 . . . . 0.0 112.937 -178.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.0 -33.1 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.231 -1.543 . . . . 0.0 109.779 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.3 79.41 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.719 0.771 . . . . 0.0 110.056 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -75.29 -23.83 57.43 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 112.653 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.04 -41.19 16.01 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 119.838 -1.789 . . . . 0.0 109.839 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -52.93 -46.98 68.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.644 -1.285 . . . . 0.0 109.161 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 13.4 m -60.05 -40.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.163 -0.96 . . . . 0.0 110.234 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.28 -25.54 65.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 108.922 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.37 -38.52 74.76 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.659 -0.817 . . . . 0.0 108.963 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' A' ' 71' ' ' PHE . 66.4 m-20 -59.77 -36.21 76.21 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.01 -38.88 83.96 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.52 36.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.509 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 63.8 t80 -79.67 -10.97 59.87 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.946 -1.096 . . . . 0.0 109.125 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 108.466 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.43 ' O ' ' ND2' ' X' ' 8' ' ' ASN . 14.6 tt . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 122.027 0.918 . . . . 0.0 108.65 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -90.71 1.03 57.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.589 -1.32 . . . . 0.0 108.415 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.562 ' CZ3' ' CZ ' ' A' ' 44' ' ' PHE . 62.5 t90 -59.93 -50.05 75.27 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.574 -0.704 . . . . 0.0 110.357 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' X' ' 5' ' ' ILE . 6.6 p30 -51.29 -37.31 46.71 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.017 -1.677 . . . . 0.0 108.73 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' X' ' 12' ' ' SER . 50.7 tttp -59.06 -24.2 62.68 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' X' ' 7' ' ' TRP . 10.0 tt -51.12 -35.52 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.41 ' N ' HG22 ' X' ' 10' ' ' ILE . 21.2 tp -66.96 -40.03 87.4 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.43 ' N ' ' O ' ' X' ' 9' ' ' LYS . 6.4 t . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 118.132 -0.937 . . . . 0.0 109.338 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 tt . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 121.309 0.576 . . . . 0.0 109.449 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -129.09 4.14 5.28 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.576 ' CZ3' ' CZ ' ' B' ' 44' ' ' PHE . 65.9 t90 -59.95 -50.0 75.45 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.138 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -51.1 -38.01 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 119.917 -1.739 . . . . 0.0 108.647 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -58.19 -23.21 54.71 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -53.47 -38.79 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.426 ' N ' HG22 ' Y' ' 10' ' ' ILE . 30.2 tp -62.09 -43.43 98.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.501 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.585 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.815 0 N-CA-C 119.481 2.552 . . . . 0.0 119.481 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -65.05 32.72 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.18 -1.188 . . . . 0.0 110.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.585 ' H ' ' C ' ' A' ' 1' ' ' GLY . 81.3 mt-10 -59.93 -43.55 94.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.963 -1.086 . . . . 0.0 109.927 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.98 -46.24 90.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.839 -1.163 . . . . 0.0 108.994 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.64 -39.78 92.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.161 -0.962 . . . . 0.0 109.921 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -54.27 -41.67 69.09 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.025 0.917 . . . . 0.0 109.386 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.97 68.78 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.7 mmm -77.3 -44.33 30.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.265 -1.522 . . . . 0.0 110.104 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -72.31 -29.98 64.35 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.381 -0.824 . . . . 0.0 110.797 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.5 t -70.29 -54.64 11.81 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.753 -1.217 . . . . 0.0 109.604 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -44.37 -39.77 4.89 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.312 -1.493 . . . . 0.0 107.754 177.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.43 HD13 HG21 ' A' ' 12' ' ' ILE . 69.9 mt -62.65 -38.56 81.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.222 -0.924 . . . . 0.0 109.14 177.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.547 ' N ' ' O ' ' A' ' 10' ' ' THR . 28.2 m120 -67.7 -54.13 21.98 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.973 -1.079 . . . . 0.0 112.663 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.516 ' CG2' ' N ' ' A' ' 15' ' ' PHE . 6.1 m -60.7 -49.6 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.776 -1.202 . . . . 0.0 110.611 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 16.5 m-85 -60.92 -40.03 91.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.25 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 120.397 -1.44 . . . . 0.0 109.823 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -55.13 37.98 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.52 -41.31 21.87 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.812 -1.18 . . . . 0.0 111.668 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' ASP . 54.0 p -60.05 -29.53 68.6 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.01 9.4 43.23 Favored Glycine 0 N--CA 1.506 3.361 0 O-C-N 120.628 -1.295 . . . . 0.0 111.886 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 23' ' ' GLY . 96.3 mttt -122.29 -71.5 0.73 Allowed 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 118.799 1.3 . . . . 0.0 109.841 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -70.61 34.15 0.04 OUTLIER 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.855 -1.153 . . . . 0.0 109.536 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 168.45 -171.05 42.51 Favored Glycine 0 N--CA 1.488 2.102 0 C-N-CA 119.509 -1.329 . . . . 0.0 110.799 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 58.5 t0 -39.76 149.26 0.06 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 122.21 -0.582 . . . . 0.0 109.873 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 24.1 pttm -59.26 -38.71 80.76 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 77.3 t80 -134.56 34.29 3.22 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.004 -1.685 . . . . 0.0 111.097 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -142.31 147.94 37.19 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.389 1.09 . . . . 0.0 108.819 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.93 153.82 18.55 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.496 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 16.3 t -129.79 161.82 29.85 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' SER . 53.0 tptt -45.19 -35.29 3.17 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -85.1 -28.03 25.87 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.147 -1.595 . . . . 0.0 111.5 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.5 mt-10 -71.62 -39.94 70.12 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.251 -1.53 . . . . 0.0 110.401 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.37 -45.79 89.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.999 -1.063 . . . . 0.0 109.942 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -60.43 -40.05 89.68 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 59.5 t0 -76.47 -36.8 57.67 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.195 . . . . 0.0 111.809 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.88 -47.76 84.43 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 120.982 -1.073 . . . . 0.0 111.046 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.78 -40.63 54.85 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.668 ' NE2' ' HG1' ' A' ' 39' ' ' THR . 4.6 pp0? -66.05 -39.61 90.27 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.079 0.943 . . . . 0.0 111.885 -176.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.668 ' HG1' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -53.45 -44.23 68.71 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.6 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -102.25 -21.32 14.37 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.391 -0.818 . . . . 0.0 111.079 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.07 67.31 1.5 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.906 -1.121 . . . . 0.0 109.902 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -79.99 -24.27 40.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.182 -0.949 . . . . 0.0 110.025 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -85.05 -28.84 25.4 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.082 -1.011 . . . . 0.0 112.508 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' O ' ' C ' ' A' ' 45' ' ' LEU . 21.6 t80 -109.92 -110.14 0.33 Allowed 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.806 -1.184 . . . . 0.0 112.615 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -4.16 120.46 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.118 0 CA-C-O 115.374 -2.251 . . . . 0.0 109.973 177.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 33.9 p-10 -75.67 141.18 42.8 Favored 'General case' 0 N--CA 1.51 2.539 1 CA-C-N 127.94 4.882 . . . . 0.0 112.759 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 46' ' ' ASP . 2.6 m -166.85 -53.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 49' ' ' LYS . 96.6 mt-30 -100.37 -71.43 0.7 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.836 -1.165 . . . . 0.0 113.096 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -31.83 -60.06 0.26 Allowed 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.114 -177.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -99.97 94.62 6.38 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.2 81.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.293 -0.879 . . . . 0.0 109.468 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -59.38 -37.61 78.4 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.69 97.72 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.39 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -34.7 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.493 -1.38 . . . . 0.0 108.503 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 56.0 t0 -60.81 -39.94 90.85 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.537 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -69.61 -40.09 76.84 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.044 -1.035 . . . . 0.0 110.93 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.03 -55.72 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.218 -0.927 . . . . 0.0 110.571 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.05 -36.77 78.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.485 -0.759 . . . . 0.0 109.463 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -60.06 -46.1 90.65 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.02 -23.11 63.43 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.1 mt -92.55 -26.74 17.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 70.2 m-20 -74.92 49.98 0.44 Allowed 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 61' ' ' LEU . 41.1 mt-10 -60.06 -40.77 90.62 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.429 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -74.52 -23.31 58.8 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.79 40.45 14.73 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.886 -2.085 . . . . 0.0 107.886 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -98.73 -7.96 26.84 Favored 'General case' 0 N--CA 1.512 2.626 0 O-C-N 121.495 -1.003 . . . . 0.0 111.924 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.12 7.42 88.47 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 120.883 -1.136 . . . . 0.0 110.473 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -133.55 176.26 8.7 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.13 135.04 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.489 -1.382 . . . . 0.0 108.591 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -95.97 167.22 11.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.969 . . . . 0.0 109.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.503 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 39.2 t80 -59.99 -31.28 69.76 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -72.48 -25.21 61.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.862 -1.149 . . . . 0.0 110.312 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -81.04 -52.35 7.5 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.425 -0.797 . . . . 0.0 110.205 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.07 -32.38 61.47 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.714 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.503 ' CG2' ' CE1' ' A' ' 71' ' ' PHE . 43.6 t -57.96 -39.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.98 -40.01 81.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.28 -0.887 . . . . 0.0 109.119 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.2 tm? -62.51 -54.12 44.69 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.269 -0.895 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -51.42 -34.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.299 -1.501 . . . . 0.0 108.993 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.12 91.92 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.722 0.772 . . . . 0.0 109.433 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.73 -30.52 51.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.2 mt -78.28 -43.04 29.17 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 119.244 -2.16 . . . . 0.0 110.625 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -58.46 -43.27 88.82 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.055 -1.028 . . . . 0.0 110.99 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.5 m -59.7 -40.1 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.065 -1.022 . . . . 0.0 109.1 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.61 -25.7 68.23 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.91 -42.94 47.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.387 -0.821 . . . . 0.0 110.632 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.96 -46.74 88.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.141 -0.974 . . . . 0.0 110.096 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.12 -0.988 . . . . 0.0 109.754 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 67.2 t80 -86.43 -2.64 58.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.387 -0.821 . . . . 0.0 109.791 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -85.24 -29.49 24.6 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 95.6 m95 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.283 -0.886 . . . . 0.0 110.485 -178.834 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 120.974 0.416 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -60.04 -43.34 95.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.009 -1.057 . . . . 0.0 109.95 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.08 -46.34 89.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.919 -1.113 . . . . 0.0 108.933 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.55 -39.86 92.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.113 -0.992 . . . . 0.0 109.959 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -54.22 -41.66 68.93 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.097 0.951 . . . . 0.0 109.361 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.44 -29.6 68.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.5 mmm -77.67 -44.11 29.13 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.253 -1.529 . . . . 0.0 110.13 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.55 -29.95 64.01 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.346 -0.846 . . . . 0.0 110.665 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.5 t -70.17 -54.7 11.73 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.812 -1.18 . . . . 0.0 109.643 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.2 mp -44.43 -39.66 4.9 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.529 -1.357 . . . . 0.0 107.692 177.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.81 -38.34 81.53 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 109.124 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 10' ' ' THR . 28.1 m120 -67.82 -54.1 21.7 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.039 -1.038 . . . . 0.0 112.678 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' B' ' 15' ' ' PHE . 6.9 m -60.66 -49.55 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.788 -1.195 . . . . 0.0 110.656 -178.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.508 ' N ' ' CG2' ' B' ' 14' ' ' VAL . 16.8 m-85 -60.91 -40.07 91.75 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.314 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -40.01 87.63 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.382 -1.448 . . . . 0.0 109.845 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -55.05 38.75 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -81.46 -41.37 21.89 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.859 -1.151 . . . . 0.0 111.612 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 24' ' ' ASP . 54.0 p -60.04 -29.62 68.64 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.08 9.58 43.11 Favored Glycine 0 N--CA 1.505 3.242 0 O-C-N 120.516 -1.365 . . . . 0.0 111.878 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.568 ' C ' ' H ' ' B' ' 23' ' ' GLY . 96.2 mttt -122.42 -71.57 0.72 Allowed 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 118.761 1.28 . . . . 0.0 109.804 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -70.49 34.05 0.04 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.799 -1.188 . . . . 0.0 109.638 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 168.64 -170.91 42.54 Favored Glycine 0 N--CA 1.488 2.107 0 C-N-CA 119.575 -1.298 . . . . 0.0 110.781 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 58.0 t0 -39.78 149.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 122.156 -0.614 . . . . 0.0 109.808 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 24.7 pttm -59.46 -38.81 81.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 76.5 t80 -134.18 34.06 3.33 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.026 -1.671 . . . . 0.0 111.13 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -142.31 147.75 36.88 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 122.366 1.079 . . . . 0.0 108.868 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.94 153.84 18.53 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.503 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.1 t -129.95 161.87 29.91 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -45.1 -35.34 3.04 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -85.1 -27.97 25.91 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.099 -1.626 . . . . 0.0 111.374 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.503 ' HB2' ' H ' ' B' ' 29' ' ' SER . 48.9 mt-10 -71.6 -39.95 70.15 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.166 -1.584 . . . . 0.0 110.377 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 pp -63.43 -45.72 89.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.934 -1.104 . . . . 0.0 109.979 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -60.46 -39.96 89.47 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 59.5 t0 -76.66 -36.72 57.17 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.855 -1.153 . . . . 0.0 111.821 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.05 -47.63 85.08 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 120.849 -1.157 . . . . 0.0 111.013 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.5 mt -75.85 -40.69 54.25 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' B' ' 39' ' ' THR . 4.6 pp0? -65.9 -39.64 90.8 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.103 0.954 . . . . 0.0 111.846 -176.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.5 m -53.6 -44.22 69.23 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.507 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 1' ' ' GLY . 93.0 mt-10 -102.15 -21.36 14.42 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.389 -0.819 . . . . 0.0 111.051 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 mt -135.02 67.1 1.51 Allowed 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.929 -1.107 . . . . 0.0 109.925 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -79.95 -24.25 41.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.268 -0.895 . . . . 0.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 71.1 m -85.21 -28.86 25.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.982 -1.074 . . . . 0.0 112.471 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.576 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.6 t80 -109.91 -95.91 0.41 Allowed 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.519 ' C ' ' O ' ' B' ' 44' ' ' PHE . 0.9 OUTLIER -28.9 128.74 0.08 Allowed 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 117.123 -1.417 . . . . 0.0 109.317 -174.534 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 33.7 p-10 -76.04 139.59 41.51 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 124.965 3.53 . . . . 0.0 112.444 -177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.417 ' CG1' ' O ' ' B' ' 46' ' ' ASP . 2.4 m -166.23 -52.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' B' ' 49' ' ' LYS . 96.6 mt-30 -100.33 -71.64 0.7 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -31.75 -60.24 0.25 Allowed 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.645 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -99.76 94.62 6.43 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -38.37 82.51 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.229 -0.919 . . . . 0.0 109.442 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.43 -37.63 78.58 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.36 93.13 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.129 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -34.79 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.525 -1.359 . . . . 0.0 108.575 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 56.5 t0 -60.74 -39.89 90.37 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 121.036 -1.04 . . . . 0.0 109.644 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -69.45 -40.13 77.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 110.975 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.0 -55.71 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.255 -0.903 . . . . 0.0 110.648 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.97 -36.8 77.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.49 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -59.99 -46.62 88.86 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.99 -21.43 61.26 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.542 ' C ' ' H ' ' B' ' 63' ' ' GLU . 49.1 mt -94.36 -26.57 16.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.71 -0.619 . . . . 0.0 110.252 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 71.1 m-20 -75.09 49.92 0.46 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.542 ' H ' ' C ' ' B' ' 61' ' ' LEU . 41.2 mt-10 -60.05 -40.84 90.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.428 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.47 -23.37 58.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.85 40.48 14.49 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.918 -2.073 . . . . 0.0 107.918 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -98.76 -8.08 26.56 Favored 'General case' 0 N--CA 1.511 2.596 0 O-C-N 121.497 -1.002 . . . . 0.0 111.917 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.91 8.11 88.0 Favored Glycine 0 N--CA 1.502 3.042 0 O-C-N 121.008 -1.058 . . . . 0.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -134.11 176.27 8.73 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.18 135.14 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.51 -1.369 . . . . 0.0 108.546 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -95.89 167.2 11.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.514 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 39.2 t80 -59.98 -31.18 69.66 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -72.7 -25.1 61.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.873 -1.142 . . . . 0.0 110.276 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -81.24 -52.28 7.5 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.373 -0.829 . . . . 0.0 110.157 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -32.33 61.53 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.99 -1.084 . . . . 0.0 111.701 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.514 ' CG2' ' CE1' ' B' ' 71' ' ' PHE . 41.9 t -57.95 -39.59 72.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.136 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.2 tm? -62.63 -54.08 44.91 Favored 'General case' 0 N--CA 1.511 2.6 0 O-C-N 121.318 -0.863 . . . . 0.0 112.43 -178.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -51.36 -34.08 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 120.271 -1.518 . . . . 0.0 109.032 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.55 92.46 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.632 0.729 . . . . 0.0 109.356 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.64 54.09 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.4 mt -78.3 -42.95 29.27 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 119.237 -2.164 . . . . 0.0 110.689 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -58.62 -43.3 89.6 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.993 -1.067 . . . . 0.0 110.961 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 m -59.59 -39.97 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.086 -1.009 . . . . 0.0 109.204 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.92 -25.59 68.4 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.85 -42.8 48.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.646 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -60.05 -46.76 88.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.059 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.01 -39.99 87.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 67.1 t80 -86.45 -2.73 58.7 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.84 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -85.16 -29.46 24.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.941 . . . . 0.0 109.719 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 95.4 m95 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.259 -0.9 . . . . 0.0 110.516 -178.851 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.941 0.877 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -129.36 5.84 5.25 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.595 ' O ' ' N ' ' X' ' 10' ' ' ILE . 77.0 t90 -60.1 -49.24 78.43 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.128 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' X' ' 7' ' ' TRP . 49.5 t30 -50.02 -35.46 24.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 119.877 -1.765 . . . . 0.0 108.748 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' X' ' 12' ' ' SER . 7.7 ttmm -59.36 -24.18 63.16 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.595 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.8 tt -51.35 -37.66 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.422 ' N ' HG22 ' X' ' 10' ' ' ILE . 86.1 mt -63.49 -39.36 94.25 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.419 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.4 p . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.544 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.1 pt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.506 0.67 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -105.72 11.22 32.36 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 122.527 1.156 . . . . 0.0 108.427 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 76.5 t90 -59.93 -48.74 80.47 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.408 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -51.29 -30.95 19.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.242 -1.536 . . . . 0.0 108.94 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' Y' ' 12' ' ' SER . 7.2 ttpm? -59.42 -27.04 65.67 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.574 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 11.5 tt -51.32 -34.23 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . 0.523 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 5.7 t . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 117.997 -1.002 . . . . 0.0 109.62 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.955 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.579 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 83.6 p -80.06 163.46 24.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.084 -1.245 . . . . 0.0 108.663 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 42.7 mp0 -56.38 -50.02 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.067 . . . . 0.0 110.002 -177.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.55 -40.29 94.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.045 -1.035 . . . . 0.0 109.036 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.579 ' H ' ' HG ' ' A' ' 2' ' ' SER . 87.7 tt0 -66.37 -35.1 79.47 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.078 -1.014 . . . . 0.0 109.724 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -44.35 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.396 -0.815 . . . . 0.0 110.025 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.62 -29.69 66.14 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -69.98 -48.81 56.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.374 -1.454 . . . . 0.0 110.221 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.9 -31.21 68.88 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.687 -0.633 . . . . 0.0 110.553 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -67.42 -56.68 8.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.777 -1.202 . . . . 0.0 110.063 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.2 mp -46.97 -39.3 12.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.277 -1.515 . . . . 0.0 108.59 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.1 -38.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.516 -0.74 . . . . 0.0 110.88 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -78.51 -43.64 26.4 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 119.967 -1.708 . . . . 0.0 112.587 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.487 ' CG2' ' N ' ' A' ' 15' ' ' PHE . 10.7 m -60.03 -42.92 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.497 -1.377 . . . . 0.0 109.486 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.487 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 6.2 t80 -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.889 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.06 -39.27 85.44 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.596 -1.315 . . . . 0.0 109.16 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.81 17.4 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 60.9 m80 -75.2 -46.39 34.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.906 -1.121 . . . . 0.0 111.702 -178.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 24' ' ' ASP . 47.2 t -54.05 -27.98 35.79 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.0 10.57 40.52 Favored Glycine 0 N--CA 1.505 3.253 0 O-C-N 120.857 -1.152 . . . . 0.0 110.561 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 23' ' ' GLY . 19.8 ttmm -125.07 -78.24 0.6 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -1.123 . . . . 0.0 109.604 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.37 43.36 0.06 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.647 -1.283 . . . . 0.0 109.879 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 177.79 -144.5 6.6 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.304 -1.427 . . . . 0.0 110.795 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' SER . 96.1 m-20 -83.69 169.01 15.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.641 -0.917 . . . . 0.0 109.015 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -56.89 -48.97 76.94 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 111.983 -177.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 37.5 t80 -133.39 36.02 3.41 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 120.62 -1.3 . . . . 0.0 111.614 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -135.66 142.49 45.16 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -94.58 100.26 12.26 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 32' ' ' GLU . 43.3 t -69.85 157.91 36.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.744 -1.222 . . . . 0.0 110.014 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.88 -36.73 1.6 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -78.4 -23.48 46.74 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.633 -1.292 . . . . 0.0 109.03 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' SER . 7.5 mm-40 -73.37 -42.44 62.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.003 -1.061 . . . . 0.0 110.615 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.59 -43.07 97.79 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.582 -1.324 . . . . 0.0 108.296 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -63.64 -40.15 96.15 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.435 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.63 -40.54 66.35 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.05 -1.031 . . . . 0.0 111.058 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.517 -0.739 . . . . 0.0 110.528 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.04 -43.03 30.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.44 -0.787 . . . . 0.0 113.042 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.556 ' C ' ' H ' ' A' ' 40' ' ' GLU . 9.1 pt20 -69.63 -40.14 76.72 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.287 -0.883 . . . . 0.0 111.741 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.469 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 28.9 m -60.76 11.08 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.753 -0.592 . . . . 0.0 111.811 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.556 ' H ' ' C ' ' A' ' 38' ' ' GLN . 82.6 mt-10 -156.83 -47.34 0.07 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.664 -1.273 . . . . 0.0 110.371 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.6 mt -105.03 43.31 1.12 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.567 ' HG ' ' H ' ' A' ' 43' ' ' SER . 85.3 p -60.11 -47.34 86.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.481 0.657 . . . . 0.0 110.697 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.567 ' H ' ' HG ' ' A' ' 42' ' ' SER . 70.8 m -67.58 -39.87 84.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.335 -0.853 . . . . 0.0 111.455 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 45' ' ' LEU . 12.6 t80 -89.25 -102.36 0.09 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.88 -1.137 . . . . 0.0 112.564 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.583 ' C ' ' O ' ' A' ' 44' ' ' PHE . 4.1 mp -12.19 133.86 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.217 0 CA-C-O 115.377 -2.249 . . . . 0.0 109.312 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -88.89 112.54 23.4 Favored 'General case' 0 N--CA 1.522 3.139 1 CA-C-N 127.137 4.517 . . . . 0.0 110.435 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.7 t -135.8 -84.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.359 -0.838 . . . . 0.0 109.841 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -61.93 -40.11 94.36 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.363 0.601 . . . . 0.0 111.635 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 12.3 mtmm -60.56 -28.84 68.76 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -141.22 93.02 2.53 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.22 68.95 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.93 -39.06 84.21 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.13 91.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.167 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -34.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.481 -1.387 . . . . 0.0 109.198 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.68 -40.1 94.81 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.892 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.79 -40.36 76.06 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.07 -1.019 . . . . 0.0 111.06 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.78 -53.79 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.334 -0.854 . . . . 0.0 109.532 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 ttt -60.06 -34.97 74.16 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.32 95.31 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.94 -27.08 68.89 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.395 -0.815 . . . . 0.0 108.967 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 63' ' ' GLU . 46.9 mt -88.47 -29.68 19.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.15 -0.969 . . . . 0.0 110.106 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -68.86 49.01 0.07 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 61' ' ' LEU . 90.3 mt-10 -60.23 -39.6 87.25 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.12 -20.58 63.17 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.24 32.95 Favored Glycine 0 N--CA 1.48 1.585 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 29.1 p-10 -92.08 -126.15 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 66' ' ' ASP . . . -149.35 16.7 1.14 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -138.87 175.83 9.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.654 -1.497 . . . . 0.0 108.347 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -123.93 134.39 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -98.26 167.2 11.01 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.36 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 21.9 t80 -59.96 -34.75 73.69 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 109.702 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -69.46 -23.03 63.6 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.621 -1.299 . . . . 0.0 108.873 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -85.86 -50.33 7.2 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.755 0.788 . . . . 0.0 110.022 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -60.53 -45.16 94.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.404 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.64 -40.03 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.033 -1.042 . . . . 0.0 109.393 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.41 -39.91 80.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.806 -1.184 . . . . 0.0 109.419 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 tm? -66.57 -54.7 20.78 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 121.077 -1.014 . . . . 0.0 112.657 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.12 -31.05 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.364 -1.46 . . . . 0.0 109.258 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.74 -37.38 70.57 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-O 121.566 0.698 . . . . 0.0 109.712 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.6 -26.79 45.49 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -176.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.85 -39.6 26.24 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.412 -2.055 . . . . 0.0 108.99 179.616 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.567 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 3.0 t -59.66 -43.92 93.75 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.844 -1.16 . . . . 0.0 110.966 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.99 -44.62 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 120.766 -1.209 . . . . 0.0 110.017 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.71 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.522 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 24.7 t -70.38 -38.66 74.74 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.483 HD22 ' HH ' ' B' ' 26' ' ' TYR . 27.5 t-20 -60.45 -40.56 91.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.409 -0.807 . . . . 0.0 109.083 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.841 . . . . 0.0 110.19 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 58.9 t80 -79.08 -4.58 50.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.292 -0.88 . . . . 0.0 109.766 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 2.9 m-85 -90.68 -1.15 57.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.228 -0.92 . . . . 0.0 109.434 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 33.1 t90 . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.692 -1.255 . . . . 0.0 108.215 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.524 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 81.4 p . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 44.2 mp0 -56.19 -50.33 71.53 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.892 -1.13 . . . . 0.0 109.944 -177.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.27 -39.95 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.944 -1.097 . . . . 0.0 108.983 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.524 ' H ' ' HG ' ' B' ' 2' ' ' SER . 87.3 tt0 -66.12 -35.88 81.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 109.555 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.86 -44.0 94.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 110.408 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.15 -30.47 67.63 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -70.18 -48.4 57.39 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.398 -1.439 . . . . 0.0 110.24 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.98 -31.08 68.6 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.699 -0.626 . . . . 0.0 110.532 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.68 -56.93 7.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.052 -179.494 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -46.7 -38.77 10.36 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.457 -1.402 . . . . 0.0 108.707 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.424 HD12 HG21 ' B' ' 12' ' ' ILE . 88.2 mt -67.5 -38.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.416 -0.802 . . . . 0.0 111.134 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -78.09 -44.33 26.52 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.158 -1.589 . . . . 0.0 112.38 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.489 ' CG2' ' N ' ' B' ' 15' ' ' PHE . 10.6 m -59.91 -42.93 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.521 -1.362 . . . . 0.0 109.452 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.489 ' N ' ' CG2' ' B' ' 14' ' ' VAL . 6.2 t80 -63.54 -40.12 96.17 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.977 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -39.38 85.71 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.6 -1.312 . . . . 0.0 109.173 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.71 18.66 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.445 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 62.3 m80 -75.12 -46.73 32.55 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.727 -1.233 . . . . 0.0 111.573 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.457 ' O ' ' O ' ' B' ' 24' ' ' ASP . 40.8 t -53.5 -28.05 28.84 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.29 10.36 39.46 Favored Glycine 0 N--CA 1.506 3.332 0 O-C-N 120.764 -1.21 . . . . 0.0 110.599 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.464 ' C ' ' H ' ' B' ' 23' ' ' GLY . 19.6 ttmm -124.9 -78.35 0.6 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.306 -1.114 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.401 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -70.07 43.06 0.06 Allowed 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.693 -1.254 . . . . 0.0 110.358 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 177.87 -144.41 6.54 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' B' ' 19' ' ' SER . 96.0 m-20 -83.67 169.58 15.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.572 -0.958 . . . . 0.0 108.947 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.96 -49.17 76.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 111.972 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 37.5 t80 -133.27 35.53 3.46 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.516 -1.365 . . . . 0.0 111.62 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -135.44 142.42 45.58 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 tp -94.09 99.64 11.9 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.558 ' O ' ' N ' ' B' ' 32' ' ' GLU . 33.7 t -70.03 158.22 36.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.492 -1.38 . . . . 0.0 110.016 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.89 -37.05 1.7 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.374 -0.829 . . . . 0.0 110.012 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -77.98 -23.27 48.45 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 108.936 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' B' ' 29' ' ' SER . 7.3 mm-40 -73.55 -42.27 61.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.022 -1.049 . . . . 0.0 110.644 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 3.1 pp -61.13 -42.07 97.87 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.365 -1.459 . . . . 0.0 108.413 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.407 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 70.5 tttt -64.31 -40.08 95.19 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.105 -177.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.41 ' O ' ' OG1' ' B' ' 39' ' ' THR . 82.7 m-20 -72.23 -40.36 67.82 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.209 -0.932 . . . . 0.0 111.17 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.39 -41.77 98.79 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.583 -0.698 . . . . 0.0 110.605 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.19 -43.26 29.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.548 ' C ' ' H ' ' B' ' 40' ' ' GLU . 10.8 pt20 -69.68 -40.02 76.62 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 121.987 0.898 . . . . 0.0 111.558 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 31.8 m -60.7 10.76 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.722 -0.611 . . . . 0.0 111.987 -176.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' B' ' 38' ' ' GLN . 82.8 mt-10 -156.61 -47.27 0.07 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.679 -1.263 . . . . 0.0 110.144 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 24.5 mt -105.2 43.47 1.11 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.522 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 96.6 p -60.14 -46.44 89.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.48 0.657 . . . . 0.0 110.606 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.514 ' H ' ' HG ' ' B' ' 42' ' ' SER . 75.5 m -68.4 -39.99 81.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.337 -0.852 . . . . 0.0 111.418 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' B' ' 45' ' ' LEU . 14.4 t80 -90.15 -87.98 0.18 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.964 -1.085 . . . . 0.0 113.831 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' B' ' 44' ' ' PHE . 3.5 mp -35.53 141.0 0.09 Allowed 'General case' 0 N--CA 1.514 2.771 0 CA-C-O 117.211 -1.376 . . . . 0.0 107.945 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.7 t0 -88.59 110.88 21.27 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 124.471 3.305 . . . . 0.0 110.02 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 75.0 t -135.48 -83.43 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-O 121.739 0.78 . . . . 0.0 109.891 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -62.26 -40.56 96.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.587 -0.696 . . . . 0.0 111.638 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.2 mtmm -60.36 -28.56 68.28 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -141.63 93.13 2.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.47 -30.88 68.84 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.0 -39.1 84.62 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.14 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.039 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -34.38 56.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 120.247 -1.533 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.63 -40.27 95.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.822 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.78 -40.0 76.31 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.133 -0.979 . . . . 0.0 111.051 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.8 -53.55 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -60.12 -35.39 75.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.358 -0.839 . . . . 0.0 110.455 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -42.94 95.65 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.95 -24.29 67.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 109.398 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.541 ' C ' ' H ' ' B' ' 63' ' ' GLU . 44.3 mt -91.34 -28.79 17.5 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -69.4 48.83 0.08 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.541 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.8 mt-10 -59.94 -39.63 86.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -70.12 -20.21 63.19 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.09 33.12 33.67 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' B' ' 67' ' ' GLY . 29.1 p-10 -92.61 -126.59 0.09 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' B' ' 66' ' ' ASP . . . -148.42 15.64 1.27 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.68 176.47 8.67 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.716 -1.461 . . . . 0.0 108.529 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t -124.35 134.8 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.903 . . . . 0.0 109.03 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.0 t0 -98.59 167.39 10.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.692 0.758 . . . . 0.0 109.623 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.554 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 20.7 t80 -59.8 -35.44 74.68 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.5 -0.75 . . . . 0.0 109.743 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -68.98 -22.75 64.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.595 -1.315 . . . . 0.0 108.853 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -86.11 -50.12 7.25 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.7 0.762 . . . . 0.0 110.097 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -60.42 -45.81 92.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.633 . . . . 0.0 111.482 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.22 -40.1 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.981 -1.074 . . . . 0.0 109.616 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.36 -39.86 80.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.023 -1.048 . . . . 0.0 109.526 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.439 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.4 tm? -66.84 -54.43 22.53 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 112.599 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.4 m -55.28 -30.92 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.284 -1.51 . . . . 0.0 109.435 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.27 -36.46 69.02 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-O 121.667 0.746 . . . . 0.0 109.67 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.79 -27.39 44.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -80.7 -39.25 27.44 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.404 -2.06 . . . . 0.0 109.254 179.707 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.568 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 3.2 t -59.92 -43.39 94.93 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.955 -1.091 . . . . 0.0 110.859 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.416 HG23 ' N ' ' B' ' 84' ' ' ALA . 17.8 m -60.28 -45.05 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.966 -1.084 . . . . 0.0 110.037 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.416 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -62.85 -26.71 68.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.534 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 25.6 t -70.17 -38.73 75.5 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.52 -40.45 91.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.446 -0.784 . . . . 0.0 109.075 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -60.3 -40.26 89.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 110.071 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 62.9 t80 -79.03 -4.58 50.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.334 -0.854 . . . . 0.0 109.881 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.534 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.0 m-85 -90.64 -1.05 57.88 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.418 -0.801 . . . . 0.0 109.48 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 32.2 t90 . . . . . 0 C--N 1.302 -1.48 0 O-C-N 120.833 -1.167 . . . . 0.0 108.164 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 41.75 19.19 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.166 -0.959 . . . . 0.0 110.469 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' X' ' 5' ' ' ILE . 30.8 t90 -64.71 -50.06 68.41 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.231 -0.918 . . . . 0.0 110.727 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -50.88 -32.68 21.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.49 -1.381 . . . . 0.0 108.669 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -60.05 -28.39 67.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' X' ' 7' ' ' TRP . 9.1 tt -51.27 -39.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.42 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 64.0 tp -60.59 -42.68 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.356 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 122.503 1.144 . . . . 0.0 108.389 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -100.12 18.09 19.51 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.399 -1.438 . . . . 0.0 108.806 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 33.4 t90 -59.97 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.71 -0.619 . . . . 0.0 111.906 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -51.55 -37.23 48.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 119.932 -1.73 . . . . 0.0 108.777 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.38 -25.4 65.85 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 6.7 tt -51.32 -39.92 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 57.2 tp -66.11 -42.16 89.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.629 178.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.27 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.268 2.467 . . . . 0.0 119.268 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.434 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 50.7 m -80.0 156.42 27.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -1.165 . . . . 0.0 109.433 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 4' ' ' LEU . 14.5 pt-20 -44.53 -52.71 7.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.374 -0.829 . . . . 0.0 110.525 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 7.3 mt -70.61 -39.97 73.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.007 -1.058 . . . . 0.0 110.095 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.67 -30.69 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.09 -1.006 . . . . 0.0 109.228 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -45.68 92.04 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.975 0.893 . . . . 0.0 109.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.05 -29.63 67.81 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.418 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ttt -71.65 -48.66 46.29 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.427 -1.42 . . . . 0.0 110.322 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.96 -34.71 73.76 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.63 -0.669 . . . . 0.0 111.228 -176.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 4.1 t -66.55 -55.59 14.76 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.914 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.495 ' N ' ' CG2' ' A' ' 10' ' ' THR . 6.9 mp -48.66 -41.82 32.63 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.397 -1.44 . . . . 0.0 109.036 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.85 -39.95 87.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.223 -0.923 . . . . 0.0 111.786 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -77.42 -45.07 26.98 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 119.867 -1.77 . . . . 0.0 112.572 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 8.5 p -60.02 -43.54 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.617 -1.302 . . . . 0.0 110.004 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.433 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 5.4 t80 -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.568 -1.333 . . . . 0.0 110.284 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.94 -56.94 11.06 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -83.27 -39.69 20.52 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.05 -1.031 . . . . 0.0 111.418 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 14.9 m -61.6 -33.48 73.97 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.41 12.64 61.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 120.646 -1.284 . . . . 0.0 111.29 -177.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -121.37 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.988 . . . . 0.0 109.161 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -91.74 17.22 9.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.935 -1.103 . . . . 0.0 111.177 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -167.76 -157.05 10.53 Favored Glycine 0 N--CA 1.497 2.738 0 C-N-CA 118.459 -1.829 . . . . 0.0 112.424 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 19' ' ' SER . 98.2 m-20 -69.06 143.6 54.21 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.768 0.795 . . . . 0.0 110.924 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -50.47 -60.04 3.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 112.286 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -105.42 14.9 28.05 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.973 -1.079 . . . . 0.0 112.591 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -137.16 144.59 43.02 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.683 -1.261 . . . . 0.0 109.197 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 2.4 tp -92.69 170.31 9.82 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.873 0.844 . . . . 0.0 109.99 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.442 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.7 m -131.26 160.81 33.81 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' SER . 6.4 tptp -44.23 -39.84 4.72 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.801 -1.187 . . . . 0.0 111.355 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -78.79 -33.29 46.44 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.037 -1.665 . . . . 0.0 110.891 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.522 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 85.9 mt-10 -71.65 -39.96 70.01 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.208 -1.558 . . . . 0.0 111.204 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 3.5 pp -59.29 -45.66 90.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.483 -1.386 . . . . 0.0 108.806 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.48 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 80.0 tttt -60.01 -39.92 87.47 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.426 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.98 -41.53 92.18 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.042 . . . . 0.0 111.195 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.58 -36.14 79.82 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.948 -1.095 . . . . 0.0 110.341 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.8 mp -75.25 -52.09 11.72 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.795 -1.191 . . . . 0.0 111.434 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' A' ' 48' ' ' GLN . 12.9 pt20 -77.48 -18.72 56.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.12 -0.987 . . . . 0.0 113.586 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -54.57 -47.2 73.55 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 117.345 -1.742 . . . . 0.0 108.927 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.444 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 75.5 mm-40 -114.77 -38.34 3.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.341 -0.849 . . . . 0.0 111.459 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.7 mt -93.5 40.36 1.07 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.944 -1.098 . . . . 0.0 109.506 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -60.0 -50.06 75.24 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.594 0.712 . . . . 0.0 110.546 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.8 t -81.02 -23.57 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.565 -0.709 . . . . 0.0 111.772 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.629 ' O ' ' O ' ' A' ' 45' ' ' LEU . 3.5 t80 -84.81 -102.61 0.05 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.341 -1.475 . . . . 0.0 110.579 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.629 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mp -13.61 150.11 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.908 0 CA-C-O 117.446 -1.264 . . . . 0.0 110.715 174.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -95.14 102.16 13.95 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 124.126 3.148 . . . . 0.0 109.601 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -146.1 -56.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 O-C-N 120.164 -1.585 . . . . 0.0 109.013 178.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 75.7 mm-40 -70.05 -40.47 75.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.958 -1.089 . . . . 0.0 109.97 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.62 -25.11 62.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -135.11 88.42 2.42 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.32 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.97 -38.44 82.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.53 -37.58 68.13 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.142 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -39.96 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.195 -1.566 . . . . 0.0 108.186 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.43 -41.53 98.78 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.974 -1.079 . . . . 0.0 111.98 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.83 -39.98 87.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.401 -1.437 . . . . 0.0 109.895 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.0 -53.06 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.422 0.63 . . . . 0.0 111.313 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.1 ttt -60.14 -39.96 88.17 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.061 -1.024 . . . . 0.0 111.515 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.53 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 8.6 mmpt? -60.91 -41.05 95.36 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -24.93 64.83 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.574 ' C ' ' H ' ' A' ' 63' ' ' GLU . 25.3 mt -92.27 -25.21 18.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.456 -0.777 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.53 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 86.9 m-20 -72.63 44.83 0.13 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.53 -1.356 . . . . 0.0 107.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.574 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.5 mt-10 -59.93 -40.07 87.66 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.12 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.511 HD22 ' CG ' ' A' ' 66' ' ' ASP . 52.3 p30 -77.27 -12.38 59.94 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 70.89 32.41 66.46 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.511 ' CG ' HD22 ' A' ' 64' ' ' ASN . 48.4 p-10 -93.82 -6.58 45.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.194 -1.18 . . . . 0.0 111.563 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.44 14.95 69.96 Favored Glycine 0 N--CA 1.501 2.993 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -136.42 171.9 13.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.7 t -124.21 126.43 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 O-C-N 120.523 -1.36 . . . . 0.0 110.398 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.5 t0 -93.09 150.49 20.48 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -43.25 -39.76 3.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.192 -177.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -61.93 -35.01 77.13 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.317 -1.49 . . . . 0.0 109.365 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' ASP . 53.9 mt-10 -76.55 -43.63 38.26 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.971 0.891 . . . . 0.0 111.02 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -69.76 -45.53 67.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.353 -0.842 . . . . 0.0 111.439 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.36 -30.69 50.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 O-C-N 121.424 -0.798 . . . . 0.0 110.566 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -33.61 63.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 tm? -70.24 -55.5 9.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.803 -0.561 . . . . 0.0 111.855 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.03 -44.74 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 122.148 0.975 . . . . 0.0 109.028 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.51 89.3 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.729 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.8 -24.87 59.88 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -83.22 -49.11 9.77 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 119.846 -1.784 . . . . 0.0 109.706 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -48.16 -47.04 35.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.036 -1.04 . . . . 0.0 110.045 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.8 m -60.08 -41.67 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.976 -1.077 . . . . 0.0 109.762 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.97 -27.3 66.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.441 -0.787 . . . . 0.0 109.091 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.24 -40.97 74.13 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.638 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.06 -40.27 88.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.544 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.33 -40.02 89.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.299 -0.875 . . . . 0.0 110.423 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.01 -7.96 59.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.118 -0.989 . . . . 0.0 109.514 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.2 -20.04 45.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 108.686 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 90' ' ' TRP . 77.7 t90 . . . . . 0 C--N 1.304 -1.392 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.444 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 50.6 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 4' ' ' LEU . 14.9 pt-20 -44.41 -52.6 7.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 110.605 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.413 ' N ' ' CG ' ' B' ' 3' ' ' GLU . 7.1 mt -70.74 -40.02 72.99 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.928 -1.108 . . . . 0.0 110.117 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . 0.42 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 44.3 mt-10 -63.55 -30.85 71.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.981 -1.075 . . . . 0.0 109.199 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -45.52 92.49 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.968 0.889 . . . . 0.0 109.736 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.44 67.07 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -71.89 -48.29 46.73 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.412 -1.43 . . . . 0.0 110.21 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.03 -34.55 73.4 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.617 -0.677 . . . . 0.0 111.294 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 4.1 t -66.74 -55.56 14.45 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.771 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' ' CG2' ' B' ' 10' ' ' THR . 6.8 mp -48.78 -41.76 33.54 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.492 -1.38 . . . . 0.0 108.999 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.92 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.132 -0.98 . . . . 0.0 111.806 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -77.58 -44.83 27.12 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 119.987 -1.696 . . . . 0.0 112.536 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 8.5 p -60.12 -43.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.552 -1.343 . . . . 0.0 109.997 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.439 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 5.7 t80 -60.02 -39.98 87.74 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.12 -39.97 88.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.632 -1.293 . . . . 0.0 110.241 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -57.04 10.68 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.09 -40.02 20.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.185 -0.947 . . . . 0.0 111.456 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 15.3 m -61.13 -33.72 73.85 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.61 12.59 61.29 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.545 -1.347 . . . . 0.0 111.345 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -121.04 -62.46 1.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.523 -0.986 . . . . 0.0 109.094 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -91.75 16.71 10.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.005 -1.059 . . . . 0.0 111.204 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.531 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -167.5 -156.89 10.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 118.434 -1.841 . . . . 0.0 112.43 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' B' ' 19' ' ' SER . 98.4 m-20 -69.02 143.46 54.32 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.717 0.77 . . . . 0.0 110.997 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -50.51 -60.0 3.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.69 -0.631 . . . . 0.0 112.3 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -105.1 14.51 29.1 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.929 -1.107 . . . . 0.0 112.541 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.22 144.31 42.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.659 -1.276 . . . . 0.0 109.249 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.475 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 2.5 tp -92.44 170.38 9.81 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.885 0.85 . . . . 0.0 110.074 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.436 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 69.4 m -131.28 160.84 33.75 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -44.26 -39.91 4.82 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 111.327 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -78.73 -33.49 46.65 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.074 -1.641 . . . . 0.0 110.887 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.531 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 85.8 mt-10 -71.35 -40.07 70.91 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.198 -1.564 . . . . 0.0 111.229 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.475 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 3.5 pp -59.38 -45.5 91.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.494 -1.379 . . . . 0.0 108.837 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.475 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 79.6 tttt -59.98 -39.86 87.17 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.32 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.01 -41.73 92.76 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 111.168 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.53 -35.85 78.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.96 -1.088 . . . . 0.0 110.368 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.8 mp -75.37 -52.23 11.27 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.453 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.475 ' OE1' ' NE2' ' B' ' 48' ' ' GLN . 12.8 pt20 -77.26 -18.33 57.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 113.568 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -54.98 -47.2 74.91 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.911 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 75.5 mm-40 -114.74 -38.19 4.03 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.346 -0.846 . . . . 0.0 111.383 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.2 mt -93.43 40.07 1.06 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.957 -1.09 . . . . 0.0 109.595 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -59.95 -50.09 75.13 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.563 0.697 . . . . 0.0 110.56 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.6 t -81.1 -22.55 39.06 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.452 -0.78 . . . . 0.0 111.647 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 45' ' ' LEU . 3.6 t80 -86.34 -88.48 0.12 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.316 -1.49 . . . . 0.0 112.485 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.2 mp -38.2 157.49 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.9 t0 -95.37 101.78 13.54 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 122.101 2.228 . . . . 0.0 109.223 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -146.23 -55.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 120.39 -1.444 . . . . 0.0 108.595 178.195 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.475 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 76.8 mm-40 -70.14 -40.52 74.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 0.0 110.08 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -70.72 -24.84 62.71 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -135.57 88.38 2.4 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.0 -32.0 65.67 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.97 -38.82 83.64 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.82 -39.28 68.34 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 118.628 -1.229 . . . . 0.0 108.913 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -39.96 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.102 -1.624 . . . . 0.0 108.292 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.34 -41.82 98.88 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.97 -1.081 . . . . 0.0 111.944 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.75 -39.97 88.1 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.453 -1.405 . . . . 0.0 109.979 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.89 -53.0 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.768 -0.582 . . . . 0.0 111.277 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.414 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.5 ttt -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.015 -1.053 . . . . 0.0 111.623 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' B' ' 62' ' ' ASP . 8.7 mmpt? -60.94 -41.29 95.95 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.42 -23.05 64.09 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' B' ' 63' ' ' GLU . 24.6 mt -94.02 -25.0 17.4 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.407 -0.808 . . . . 0.0 110.543 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 86.7 m-20 -72.76 44.76 0.13 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.511 -1.368 . . . . 0.0 107.749 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.568 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.05 -39.83 87.34 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.089 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.523 HD22 ' CG ' ' B' ' 66' ' ' ASP . 51.7 p30 -77.35 -12.37 59.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 70.7 32.39 67.14 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.523 ' CG ' HD22 ' B' ' 64' ' ' ASN . 48.5 p-10 -93.72 -6.65 45.69 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.303 -1.116 . . . . 0.0 111.485 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.31 70.28 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -136.78 172.27 13.26 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.43 126.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 O-C-N 120.524 -1.36 . . . . 0.0 110.468 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.2 t0 -92.9 150.64 20.45 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.54 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 0.1 OUTLIER -43.43 -39.9 3.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.33 -0.856 . . . . 0.0 110.231 -177.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.85 -34.84 76.7 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.348 -1.47 . . . . 0.0 109.4 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 70' ' ' ASP . 54.1 mt-10 -76.67 -43.74 36.67 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.963 0.887 . . . . 0.0 111.009 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -69.61 -45.33 68.78 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.398 -0.814 . . . . 0.0 111.515 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.55 -30.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.402 -0.811 . . . . 0.0 110.634 -178.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.27 -33.7 64.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.461 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.3 tm? -70.19 -55.45 9.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.782 -0.574 . . . . 0.0 111.876 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.04 -44.76 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-O 122.159 0.98 . . . . 0.0 109.073 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.48 89.34 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.633 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.88 -24.91 59.79 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.41 -48.32 10.48 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 119.896 -1.752 . . . . 0.0 109.854 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -48.7 -47.02 41.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.129 -0.982 . . . . 0.0 109.973 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m -60.1 -41.72 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.181 -0.949 . . . . 0.0 109.706 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.9 66.49 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.444 -0.785 . . . . 0.0 109.128 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.8 -40.65 72.41 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.267 -0.896 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.05 -40.49 89.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.23 -40.08 88.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.39 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -81.89 -8.07 59.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.136 -0.978 . . . . 0.0 109.596 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -79.99 -20.05 46.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.964 . . . . 0.0 108.675 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.415 ' O ' ' CG ' ' B' ' 90' ' ' TRP . 77.8 t90 . . . . . 0 C--N 1.304 -1.395 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 3.2 pt . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -132.56 23.04 4.34 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.173 -0.954 . . . . 0.0 110.452 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.587 ' O ' ' N ' ' X' ' 10' ' ' ILE . 5.8 p-90 -60.01 -38.51 82.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.686 -1.259 . . . . 0.0 109.633 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -51.15 -32.98 24.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.142 -1.599 . . . . 0.0 108.04 179.359 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' X' ' 12' ' ' SER . 85.3 tttt -62.56 -26.59 68.66 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.587 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -50.01 -38.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.414 ' N ' HG21 ' X' ' 10' ' ' ILE . 65.5 tp -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.471 ' N ' ' O ' ' X' ' 9' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pt . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -137.01 20.77 3.02 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.006 -1.059 . . . . 0.0 110.794 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.553 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 4.9 p-90 -61.28 -38.29 86.21 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.758 -1.214 . . . . 0.0 110.208 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.412 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 0.4 OUTLIER -52.49 -35.72 53.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 119.614 -1.929 . . . . 0.0 107.934 179.628 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.433 ' CE ' ' HZ2' ' B' ' 56' ' ' LYS . 0.4 OUTLIER -59.43 -24.61 63.64 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.524 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.553 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 6.6 tt -51.0 -39.99 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 60.0 tp -69.16 -40.03 78.43 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.601 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.506 ' H3 ' ' CD ' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.867 0 N-CA-C 119.224 2.45 . . . . 0.0 119.224 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -78.86 163.07 25.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -1.157 . . . . 0.0 108.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -59.99 -46.75 88.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.074 -1.016 . . . . 0.0 110.917 -178.118 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.16 -40.03 95.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.479 -1.388 . . . . 0.0 109.005 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.506 ' CD ' ' H3 ' ' A' ' 1' ' ' GLY . 86.3 tt0 -59.92 -39.2 84.65 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.6 m -53.21 -40.07 64.21 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.282 1.039 . . . . 0.0 109.946 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -32.44 71.18 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.7 ppp? -76.5 -45.24 31.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.15 -1.594 . . . . 0.0 110.036 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.435 ' N ' ' SD ' ' A' ' 8' ' ' MET . 98.3 mt-10 -68.48 -39.21 81.43 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.309 -0.869 . . . . 0.0 110.618 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.18 -55.79 25.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.84 -1.162 . . . . 0.0 110.805 -178.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -48.51 -36.38 15.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.397 -1.439 . . . . 0.0 108.788 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.437 HG22 HD13 ' A' ' 12' ' ' ILE . 81.5 mt -68.14 -39.93 82.1 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 O-C-N 121.259 -0.9 . . . . 0.0 111.386 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -80.76 -42.25 22.12 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 119.865 -1.772 . . . . 0.0 113.316 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 15' ' ' PHE . 13.3 m -60.0 -41.17 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.35 -1.469 . . . . 0.0 108.922 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.479 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 3.6 t80 -59.91 -38.37 82.13 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -59.96 -37.87 80.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.579 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.15 -57.28 13.29 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 113.187 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.44 -45.34 39.3 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 120.863 -1.148 . . . . 0.0 111.267 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 24' ' ' ASP . 22.1 p -60.01 -25.44 65.29 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 5.43 50.05 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.66 -1.275 . . . . 0.0 111.857 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -123.74 -67.55 0.92 Allowed 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 118.84 1.32 . . . . 0.0 109.487 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.83 61.85 5.36 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.591 -1.318 . . . . 0.0 108.854 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.41 -148.95 15.89 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.354 -1.403 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.9 m-20 -88.73 165.57 14.64 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.68 -51.55 59.77 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 111.851 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -130.18 32.0 4.56 Favored 'General case' 0 N--CA 1.513 2.713 0 O-C-N 120.64 -1.287 . . . . 0.0 113.066 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.86 140.71 47.03 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.504 -1.373 . . . . 0.0 108.505 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.59 156.52 16.29 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.508 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.8 p -129.54 164.87 22.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -48.72 -37.49 18.92 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.649 -1.22 . . . . 0.0 112.219 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.533 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 2.2 tmtm? -77.43 -29.78 53.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.083 -1.636 . . . . 0.0 110.301 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.508 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -74.4 -40.94 61.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.65 -1.281 . . . . 0.0 111.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 3.1 pp -59.99 -45.58 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.646 -1.284 . . . . 0.0 109.117 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.454 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 75.4 tttt -63.22 -39.41 94.54 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.767 -0.583 . . . . 0.0 111.24 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.533 ' OD2' ' NZ ' ' A' ' 31' ' ' LYS . 97.8 m-20 -69.99 -39.85 75.68 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 110.871 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.01 -39.93 90.68 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.038 0.923 . . . . 0.0 110.613 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.04 -52.68 7.89 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.326 0.584 . . . . 0.0 111.984 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.0 pt20 -62.22 -39.96 94.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 122.093 0.949 . . . . 0.0 112.757 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 2.2 t -47.33 -48.95 25.2 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.4 -0.812 . . . . 0.0 110.761 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -99.48 -15.16 18.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.241 -0.912 . . . . 0.0 109.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -129.89 41.57 3.41 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.2 m -60.08 -50.38 73.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.791 . . . . 0.0 110.159 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -83.76 -19.26 35.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.692 -0.63 . . . . 0.0 112.471 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.642 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.2 t80 -80.54 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 119.843 -1.786 . . . . 0.0 109.923 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.642 ' O ' ' O ' ' A' ' 44' ' ' PHE . 11.2 mp -15.76 151.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.466 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' X' ' 5' ' ' ILE . 44.8 t0 -91.3 104.29 16.84 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 124.428 3.286 . . . . 0.0 109.816 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -142.32 -47.09 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.468 0 O-C-N 120.511 -1.368 . . . . 0.0 109.462 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 81.7 mt-30 -85.81 -12.29 51.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.134 -0.979 . . . . 0.0 110.01 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 2.8 mmtt -92.46 -19.1 22.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.0 m-20 -143.28 93.73 2.53 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -31.32 65.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.93 -38.37 82.17 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.09 85.26 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.64 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -36.51 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.284 -1.51 . . . . 0.0 108.248 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.16 -40.02 96.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.302 -0.874 . . . . 0.0 110.542 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.57 -40.51 84.86 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.225 -0.922 . . . . 0.0 110.429 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.14 -54.03 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.375 -0.828 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.07 -34.34 73.3 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.365 -0.834 . . . . 0.0 109.848 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -59.15 -49.84 76.33 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.955 -1.091 . . . . 0.0 108.599 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.437 ' OE2' ' OG ' ' X' ' 12' ' ' SER . 96.4 mt-10 -59.99 -23.45 63.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 0.0 108.934 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 63' ' ' GLU . 34.5 mt -86.67 -28.72 22.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.44 -0.787 . . . . 0.0 109.95 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 12.7 t0 -72.16 50.87 0.22 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 61' ' ' LEU . 95.3 mt-10 -60.04 -41.13 91.58 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.25 -20.02 59.41 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.68 37.54 34.38 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 35.1 p-10 -98.19 -4.58 35.19 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.435 -1.038 . . . . 0.0 111.278 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.492 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 73.78 12.69 80.84 Favored Glycine 0 N--CA 1.503 3.112 0 O-C-N 121.047 -1.033 . . . . 0.0 110.64 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -131.01 174.16 10.28 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.03 129.92 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.779 -1.2 . . . . 0.0 108.924 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 25.9 t0 -96.28 158.88 15.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.093 -1.004 . . . . 0.0 108.757 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.404 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 37.9 t80 -55.08 -27.28 43.78 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -74.57 -25.22 59.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 122.127 0.965 . . . . 0.0 108.823 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.45 -48.94 7.97 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.692 0.758 . . . . 0.0 109.802 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.07 -45.59 92.88 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.459 0.647 . . . . 0.0 111.22 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.03 -39.75 81.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.234 -0.917 . . . . 0.0 109.862 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.017 -1.052 . . . . 0.0 108.85 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 2.9 tm? -62.34 -52.44 63.63 Favored 'General case' 0 N--CA 1.51 2.549 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 m -58.64 -36.53 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.387 -1.446 . . . . 0.0 109.152 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.45 91.72 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-O 121.642 0.734 . . . . 0.0 109.978 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.75 -24.68 58.74 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.9 mt -88.8 -49.18 6.98 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 119.846 -1.784 . . . . 0.0 109.379 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -45.89 -46.72 16.05 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.653 -1.279 . . . . 0.0 109.814 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -59.95 -44.2 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.076 -1.015 . . . . 0.0 110.383 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -25.04 65.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.392 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.09 -34.38 75.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.0 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 0.0 109.133 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.87 -3.7 57.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.061 -1.024 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 58.4 t80 -79.52 -5.11 54.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.184 -0.947 . . . . 0.0 108.877 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.452 -0.78 . . . . 0.0 109.693 -179.7 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.565 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.1 pm0 -60.06 -46.71 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.052 . . . . 0.0 110.873 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.01 -40.04 95.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.568 -1.332 . . . . 0.0 109.053 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.96 -39.11 84.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.895 . . . . 0.0 109.177 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.4 m -53.26 -40.05 64.32 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.321 1.058 . . . . 0.0 110.019 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.38 71.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.7 ppp? -76.47 -45.14 32.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.175 -1.578 . . . . 0.0 110.11 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.44 ' N ' ' SD ' ' B' ' 8' ' ' MET . 98.3 mt-10 -68.64 -39.1 80.9 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.361 -0.837 . . . . 0.0 110.677 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.51 -55.6 25.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.879 -1.138 . . . . 0.0 110.757 -177.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.4 mp -48.5 -36.45 15.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.4 -1.438 . . . . 0.0 108.829 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.03 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.297 -0.877 . . . . 0.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -80.7 -42.36 22.09 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.965 -1.709 . . . . 0.0 113.26 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' B' ' 15' ' ' PHE . 13.7 m -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.342 -1.474 . . . . 0.0 108.872 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.469 ' N ' ' CG2' ' B' ' 14' ' ' VAL . 4.2 t80 -59.99 -38.48 82.73 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -60.0 -37.82 80.81 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.716 -1.24 . . . . 0.0 109.607 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -57.15 13.86 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.259 -0.901 . . . . 0.0 113.156 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -75.42 -45.36 39.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.79 -1.194 . . . . 0.0 111.365 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.439 ' O ' ' O ' ' B' ' 24' ' ' ASP . 23.2 p -60.02 -25.48 65.34 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.93 5.32 50.28 Favored Glycine 0 N--CA 1.502 3.078 0 O-C-N 120.585 -1.322 . . . . 0.0 111.926 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -123.61 -67.62 0.92 Allowed 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 118.92 1.36 . . . . 0.0 109.517 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -81.78 61.86 5.33 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.599 -1.313 . . . . 0.0 108.829 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.51 -148.96 15.86 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.309 -1.424 . . . . 0.0 111.279 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.8 m-20 -88.81 165.69 14.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.823 -0.81 . . . . 0.0 108.866 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.74 -51.57 59.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 111.872 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -129.99 31.75 4.64 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.576 -1.328 . . . . 0.0 113.106 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.75 140.57 47.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.308 . . . . 0.0 108.431 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.1 156.53 16.28 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.497 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.7 p -129.69 164.84 23.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -48.76 -37.51 19.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.688 -1.257 . . . . 0.0 112.186 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 1.8 tmtm? -77.52 -29.74 52.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.05 -1.657 . . . . 0.0 110.151 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.497 ' HB2' ' H ' ' B' ' 29' ' ' SER . 51.4 mt-10 -74.33 -40.85 61.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.641 -1.287 . . . . 0.0 111.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 3.1 pp -60.01 -45.59 92.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.724 -1.235 . . . . 0.0 109.173 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.446 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 75.5 tttt -63.4 -39.06 93.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.865 -0.522 . . . . 0.0 111.246 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' B' ' 31' ' ' LYS . 98.0 m-20 -70.04 -39.96 75.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.844 -1.16 . . . . 0.0 110.871 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -65.86 -39.99 91.25 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.975 0.893 . . . . 0.0 110.618 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tp -78.89 -52.75 7.86 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-O 121.481 0.658 . . . . 0.0 111.928 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.577 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.9 pt20 -62.2 -40.05 94.79 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 122.134 0.969 . . . . 0.0 112.752 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 2.7 t -47.26 -49.27 23.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.342 -0.849 . . . . 0.0 110.712 -175.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -99.16 -15.01 19.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 0.0 109.942 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 mt -130.23 41.69 3.37 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.577 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.3 m -60.01 -50.37 74.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.214 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -83.93 -18.24 38.01 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.458 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.3 t80 -81.86 -96.34 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 119.991 -1.693 . . . . 0.0 112.007 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' B' ' 44' ' ' PHE . 10.8 mp -40.09 159.37 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.412 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.1 t0 -91.38 103.88 16.47 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 122.45 2.386 . . . . 0.0 109.535 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.46 -47.15 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.798 -1.189 . . . . 0.0 109.067 178.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.55 -12.54 51.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.092 -1.005 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.53 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 2.4 mmtt -92.61 -18.77 22.64 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.1 m-20 -143.58 93.45 2.47 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.44 64.94 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.98 -38.59 82.99 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.23 85.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.462 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -36.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.087 -1.633 . . . . 0.0 108.161 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.91 -39.98 96.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 110.618 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.433 ' HZ2' ' CE ' ' Y' ' 9' ' ' LYS . 1.1 mptm? -67.89 -40.2 83.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.076 -1.015 . . . . 0.0 110.437 -178.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.24 -53.82 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.428 -0.795 . . . . 0.0 110.886 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttt -59.96 -34.61 73.5 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.373 -0.829 . . . . 0.0 109.862 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -59.07 -49.98 75.8 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.905 -1.122 . . . . 0.0 108.608 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.1 -21.83 62.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 0.0 109.257 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' B' ' 63' ' ' GLU . 33.7 mt -88.36 -28.46 20.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.541 -0.724 . . . . 0.0 109.839 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 12.8 t0 -72.44 50.93 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' B' ' 61' ' ' LEU . 95.1 mt-10 -60.04 -40.99 91.27 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.42 -19.94 59.19 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.52 37.57 35.13 Favored Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 35.2 p-10 -98.13 -4.94 34.63 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.448 -1.03 . . . . 0.0 111.138 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.49 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 74.07 12.7 81.41 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -130.89 174.31 10.1 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -129.98 129.85 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 120.689 -1.257 . . . . 0.0 108.97 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.16 159.07 15.15 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.979 -1.076 . . . . 0.0 108.697 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.14 -27.48 45.74 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -74.53 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.099 0.952 . . . . 0.0 108.758 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.5 -48.78 8.09 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.802 0.811 . . . . 0.0 109.835 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.96 -45.76 92.26 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.504 0.668 . . . . 0.0 111.196 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -39.59 80.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.215 -0.928 . . . . 0.0 109.803 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.07 -40.05 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.835 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.429 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.0 tm? -62.4 -52.39 63.79 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 13.1 m -58.7 -36.38 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.447 -1.408 . . . . 0.0 109.232 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-O 121.723 0.773 . . . . 0.0 109.925 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.57 58.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -88.84 -48.97 7.1 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 119.829 -1.794 . . . . 0.0 109.446 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -46.11 -46.54 17.13 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.85 -1.156 . . . . 0.0 109.648 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.97 -44.15 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.031 -1.043 . . . . 0.0 110.482 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.66 -24.93 65.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.244 -0.91 . . . . 0.0 109.384 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.33 -34.0 73.96 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.066 -1.021 . . . . 0.0 108.995 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -59.95 -38.4 82.32 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.142 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -82.53 -3.96 56.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.076 -1.015 . . . . 0.0 109.129 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 58.1 t80 -79.47 -4.99 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.233 -0.917 . . . . 0.0 108.979 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 0.0 109.692 -179.719 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' X' ' 9' ' ' LYS . 74.7 m-20 -147.48 8.06 0.89 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.08 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.608 ' CE2' ' ND2' ' X' ' 8' ' ' ASN . 35.9 p-90 -55.71 -41.54 73.95 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.608 ' ND2' ' CE2' ' X' ' 7' ' ' TRP . 46.5 m-80 -52.49 -29.32 24.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.168 -1.583 . . . . 0.0 107.573 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' X' ' 12' ' ' SER . 25.0 ttpp -55.28 -23.81 25.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.589 ' N ' ' O ' ' X' ' 7' ' ' TRP . 10.8 tt -50.01 -36.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' X' ' 8' ' ' ASN . 0.3 OUTLIER -60.02 -39.83 87.2 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.793 178.761 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.538 ' N ' ' O ' ' X' ' 9' ' ' LYS . 19.9 p . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.647 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.506 2.33 0 CA-C-O 121.392 0.615 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Y' ' 6' ' ' ASP . 12.0 t70 -150.04 -4.0 0.37 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.999 0.904 . . . . 0.0 108.574 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' Y' ' 8' ' ' ASN . 23.3 p-90 -59.94 -47.63 85.01 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.911 -1.118 . . . . 0.0 108.989 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 0.5 OUTLIER -49.88 -32.32 14.22 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.078 -1.639 . . . . 0.0 109.367 179.719 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' Y' ' 12' ' ' SER . 87.5 tttt -59.47 -24.39 63.52 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.573 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 7.4 tt -47.05 -38.87 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 7.9 tt -67.33 -40.14 85.89 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.921 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 19.5 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.493 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.443 2.537 . . . . 0.0 119.443 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -79.83 168.53 19.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -1.209 . . . . 0.0 108.752 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 35.7 mp0 -59.87 -49.47 77.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.902 -1.124 . . . . 0.0 111.473 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.98 -44.17 94.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.428 -1.42 . . . . 0.0 109.617 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.54 -35.41 77.67 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.087 -1.008 . . . . 0.0 109.96 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.88 -43.87 94.53 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.383 -0.823 . . . . 0.0 110.25 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.498 -0.751 . . . . 0.0 112.318 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 ttt -68.53 -50.69 50.18 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.22 -1.55 . . . . 0.0 109.832 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -70.03 -36.98 75.45 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.813 -0.555 . . . . 0.0 111.084 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 13' ' ' ASN . 2.0 t -60.18 -54.88 40.59 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.138 -1.425 . . . . 0.0 109.176 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' A' ' 10' ' ' THR . 6.9 mp -47.61 -34.72 8.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.444 -1.41 . . . . 0.0 108.503 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.505 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 69.9 mt -72.35 -23.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.147 -0.971 . . . . 0.0 108.809 178.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.8 t-20 -77.81 -53.58 7.33 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.352 -0.843 . . . . 0.0 112.026 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.421 HG21 ' H ' ' A' ' 15' ' ' PHE . 31.3 m -72.12 -42.32 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.352 -0.843 . . . . 0.0 111.292 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 5.0 m-30 -60.11 -42.35 94.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.541 -1.349 . . . . 0.0 107.699 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 12' ' ' ILE . 10.1 m-70 -61.38 -38.85 88.5 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 120.786 -1.196 . . . . 0.0 109.676 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.76 -55.52 33.25 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.432 -0.792 . . . . 0.0 113.064 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -79.04 -43.95 23.19 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.612 -1.305 . . . . 0.0 111.344 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 24' ' ' ASP . 5.6 m -57.5 -31.18 65.76 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.31 9.58 57.68 Favored Glycine 0 N--CA 1.504 3.231 0 O-C-N 120.567 -1.333 . . . . 0.0 110.092 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 23' ' ' GLY . 11.7 ttmm -125.99 -73.65 0.62 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.524 -0.986 . . . . 0.0 108.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 97.1 mt-10 -69.62 42.73 0.05 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.91 -1.119 . . . . 0.0 110.277 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 173.47 -141.52 6.12 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 119.449 -1.358 . . . . 0.0 110.856 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 19' ' ' SER . 96.3 m-20 -88.98 170.09 10.98 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -59.55 -49.39 77.96 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 112.093 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -125.4 28.35 6.31 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.306 -1.497 . . . . 0.0 112.834 -177.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -133.9 141.07 47.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.559 -1.338 . . . . 0.0 108.708 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tp -91.79 155.77 18.0 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 35.3 t -129.32 160.62 32.45 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.203 -0.936 . . . . 0.0 109.258 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.98 -42.31 5.92 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.133 -0.98 . . . . 0.0 111.839 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -77.08 -25.61 52.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.596 -1.94 . . . . 0.0 110.863 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -73.9 -43.4 58.58 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.727 -1.233 . . . . 0.0 111.115 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 4.3 pp -59.88 -42.67 94.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.769 -1.207 . . . . 0.0 108.073 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.478 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 79.3 tttt -60.02 -41.06 91.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.271 -178.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -63.4 -44.83 93.56 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.3 mt -71.59 -39.98 70.18 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 119.588 -1.945 . . . . 0.0 111.524 -178.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.23 -46.55 70.22 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.035 -1.041 . . . . 0.0 112.645 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 39' ' ' THR . 16.2 pt20 -71.35 -40.96 70.36 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 122.164 0.983 . . . . 0.0 112.069 -177.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.495 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.3 m -59.95 -44.39 94.42 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.323 -175.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 35.3 mp0 -99.41 -17.52 17.94 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.009 -1.057 . . . . 0.0 111.791 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.6 mt -134.96 52.06 2.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.883 -1.135 . . . . 0.0 110.818 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.547 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 58.1 m -61.92 -45.46 93.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.877 -1.139 . . . . 0.0 110.195 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -66.06 -40.05 90.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 111.561 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.644 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.2 t80 -91.49 -104.75 0.1 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.858 -1.151 . . . . 0.0 111.513 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.644 ' O ' ' O ' ' A' ' 44' ' ' PHE . 3.8 mm? -8.5 138.95 0.0 OUTLIER 'General case' 0 N--CA 1.528 3.45 0 CA-C-O 115.776 -2.059 . . . . 0.0 110.205 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 12.8 p30 -88.77 124.57 34.27 Favored 'General case' 0 N--CA 1.518 2.969 1 CA-C-N 126.882 4.401 . . . . 0.0 110.043 176.017 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.8 t -151.63 -94.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.704 -1.248 . . . . 0.0 110.992 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.39 -40.37 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.88 . . . . 0.0 112.337 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.599 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.32 -17.15 62.24 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -148.54 91.26 1.87 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.08 76.55 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 19.9 t0 -56.36 -37.82 70.57 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.19 96.66 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.318 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -33.29 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.019 -1.675 . . . . 0.0 108.107 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -68.99 -39.28 79.47 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.445 -0.784 . . . . 0.0 110.741 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' CG ' ' A' ' 52' ' ' ASP . 61.4 mttp -69.28 -39.89 78.1 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.055 -1.028 . . . . 0.0 110.789 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.59 -55.7 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.367 -0.833 . . . . 0.0 109.553 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 1.4 ttt -60.1 -36.69 77.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.0 109.831 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.87 -44.93 93.89 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.04 -25.93 67.27 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 63' ' ' GLU . 34.6 mt -90.66 -27.79 18.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.411 -0.805 . . . . 0.0 109.754 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 58' ' ' MET . 90.1 m-20 -72.09 49.02 0.18 Allowed 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' A' ' 61' ' ' LEU . 43.7 mt-10 -59.88 -42.21 93.29 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -74.44 -20.75 59.91 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.06 39.97 22.09 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.14 -7.31 32.9 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.502 -0.999 . . . . 0.0 112.437 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.57 6.91 82.34 Favored Glycine 0 N--CA 1.502 3.045 0 O-C-N 120.694 -1.254 . . . . 0.0 110.125 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -131.71 175.96 8.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.08 130.38 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 0 O-C-N 120.68 -1.263 . . . . 0.0 108.965 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 38.0 t0 -93.57 167.95 11.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 0.0 108.776 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.419 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -59.94 -37.79 80.55 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -178.317 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -69.52 -24.2 63.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -85.62 -51.09 6.71 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.801 0.81 . . . . 0.0 110.304 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 1.3 t80 -63.0 -46.86 85.64 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.777 0.798 . . . . 0.0 111.25 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.6 t -60.24 -38.26 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.604 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.9 -40.04 74.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.974 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.1 tm? -60.43 -51.09 70.97 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.218 -0.926 . . . . 0.0 112.603 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.54 -28.64 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.484 -1.385 . . . . 0.0 109.504 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.88 70.07 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.271 -0.893 . . . . 0.0 110.138 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.413 ' O ' HG21 ' A' ' 83' ' ' VAL . . . -87.0 -20.76 26.78 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -176.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.587 ' CD1' ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -81.62 -31.27 32.53 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.38 -2.075 . . . . 0.0 108.394 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.587 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 3.6 t -72.23 -42.87 65.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.09 -1.006 . . . . 0.0 110.923 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.485 ' CG2' ' N ' ' A' ' 84' ' ' ALA . 18.6 m -60.06 -44.84 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.883 -1.135 . . . . 0.0 108.995 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.485 ' N ' ' CG2' ' A' ' 83' ' ' VAL . . . -66.83 -30.34 70.5 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.568 0.699 . . . . 0.0 109.311 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.37 -39.98 94.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.509 -0.744 . . . . 0.0 109.161 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.81 -32.79 72.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.823 . . . . 0.0 109.421 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -59.88 -39.91 86.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.98 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -84.25 -6.98 59.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.936 -1.103 . . . . 0.0 109.997 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.814 -1.179 . . . . 0.0 109.038 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.782 -0.574 . . . . 0.0 110.954 -178.373 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 36.8 mp0 -59.89 -49.54 77.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.815 -1.178 . . . . 0.0 111.58 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.99 -43.88 94.86 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.396 -1.44 . . . . 0.0 109.752 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.75 -35.2 77.43 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.996 -1.065 . . . . 0.0 109.928 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.94 -44.08 94.59 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.422 -0.799 . . . . 0.0 110.294 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.24 -28.91 65.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.654 -0.654 . . . . 0.0 112.286 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.52 -50.78 49.48 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.363 -1.46 . . . . 0.0 109.778 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.0 -36.95 75.54 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.85 -0.531 . . . . 0.0 111.19 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.543 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.9 t -60.17 -54.66 43.19 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.28 -1.368 . . . . 0.0 109.277 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 6.9 mp -48.01 -34.26 9.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.358 -1.464 . . . . 0.0 108.588 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.498 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 70.3 mt -72.81 -23.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.103 -0.998 . . . . 0.0 108.785 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 10' ' ' THR . 19.1 t-20 -77.69 -53.13 7.91 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.364 -0.835 . . . . 0.0 112.026 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.418 HG22 ' H ' ' B' ' 15' ' ' PHE . 28.5 m -72.72 -42.24 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 111.195 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.643 ' CZ ' ' CE2' ' B' ' 74' ' ' PHE . 5.0 m-30 -60.1 -42.45 94.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.556 -1.34 . . . . 0.0 107.504 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' B' ' 12' ' ' ILE . 10.2 m-70 -61.2 -39.19 89.27 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.695 -1.253 . . . . 0.0 109.62 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.7 31.32 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 0.0 113.022 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -78.91 -44.05 23.49 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.604 -1.31 . . . . 0.0 111.424 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 24' ' ' ASP . 6.0 m -57.5 -30.97 65.55 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.47 9.26 57.29 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.573 -1.33 . . . . 0.0 110.201 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' B' ' 23' ' ' GLY . 12.4 ttmm -125.96 -73.53 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.582 -0.952 . . . . 0.0 108.923 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.429 ' CD ' ' HZ1' ' B' ' 31' ' ' LYS . 96.4 mt-10 -69.35 42.23 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.886 -1.134 . . . . 0.0 110.411 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 173.83 -141.3 5.94 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.886 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . 94.9 m-20 -89.21 170.15 10.84 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -59.54 -49.77 76.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.955 -1.091 . . . . 0.0 112.046 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -125.14 28.39 6.39 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.326 -1.484 . . . . 0.0 112.857 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -133.94 140.72 46.95 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.53 -1.356 . . . . 0.0 108.569 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -91.35 156.24 17.91 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.1 t -129.5 160.86 31.87 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.163 -0.96 . . . . 0.0 109.066 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.8 -41.85 7.32 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.853 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.429 ' HZ1' ' CD ' ' B' ' 22' ' ' GLU . 14.5 tmtt? -77.06 -25.71 52.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 119.576 -1.952 . . . . 0.0 110.776 -178.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.445 ' HB2' ' H ' ' B' ' 29' ' ' SER . 50.5 mt-10 -73.93 -43.03 59.65 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.619 -1.301 . . . . 0.0 111.134 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 4.3 pp -60.02 -42.54 94.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 108.098 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 81.3 tttt -60.08 -41.02 91.56 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.148 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -63.38 -45.32 91.64 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.467 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 61.6 mt -71.19 -39.88 71.54 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 119.653 -1.904 . . . . 0.0 111.558 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.66 -46.26 69.59 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.139 -0.975 . . . . 0.0 112.68 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.51 ' CG ' ' N ' ' B' ' 39' ' ' THR . 16.3 pt20 -71.41 -41.02 70.1 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.319 1.057 . . . . 0.0 111.983 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.51 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.0 m -59.91 -44.6 94.19 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.32 -175.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.467 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 34.9 mp0 -99.35 -17.02 18.23 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.033 -1.042 . . . . 0.0 111.889 -177.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 77.7 mt -135.3 52.13 2.04 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.026 -1.047 . . . . 0.0 110.743 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.553 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 61.9 m -62.17 -45.2 94.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.952 -1.092 . . . . 0.0 110.118 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 73.4 m -66.15 -39.91 90.16 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.283 -0.885 . . . . 0.0 111.531 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' B' ' 45' ' ' LEU . 4.7 t80 -92.19 -91.99 0.16 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.954 -1.091 . . . . 0.0 112.865 -177.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.575 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 3.4 mm? -31.35 146.12 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.03 0 CA-C-O 117.384 -1.294 . . . . 0.0 109.02 -174.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 18.1 p-10 -88.99 123.25 33.14 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 124.5 3.318 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -151.69 -94.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 120.788 -1.195 . . . . 0.0 110.793 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.1 -40.11 88.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 112.492 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.608 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -63.73 -17.4 62.98 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -148.14 91.45 1.92 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.04 76.11 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.479 ' CG ' ' NZ ' ' B' ' 56' ' ' LYS . 18.3 t0 -56.56 -38.58 72.11 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.79 98.88 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.074 -176.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -33.42 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.217 -1.552 . . . . 0.0 108.327 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -69.07 -39.74 78.92 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.416 -0.803 . . . . 0.0 110.693 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.479 ' NZ ' ' CG ' ' B' ' 52' ' ' ASP . 59.6 mttp -68.69 -40.0 80.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.051 -1.031 . . . . 0.0 110.744 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.85 -55.59 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.375 -0.828 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.502 ' O ' ' N ' ' B' ' 62' ' ' ASP . 1.5 ttt -59.98 -36.85 78.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.468 -0.77 . . . . 0.0 109.939 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -59.73 -44.63 93.67 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.13 -23.8 66.77 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.552 ' C ' ' H ' ' B' ' 63' ' ' GLU . 33.7 mt -92.48 -27.72 17.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.451 -0.78 . . . . 0.0 109.453 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 58' ' ' MET . 89.7 m-20 -72.28 49.11 0.19 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.552 ' H ' ' C ' ' B' ' 61' ' ' LEU . 44.1 mt-10 -60.05 -42.23 94.04 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -74.43 -20.85 59.89 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.12 39.94 21.96 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 107.774 -2.13 . . . . 0.0 107.774 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -97.09 -7.6 32.3 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 121.508 -0.995 . . . . 0.0 112.336 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.24 7.61 82.44 Favored Glycine 0 N--CA 1.501 3.007 0 O-C-N 120.705 -1.247 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -131.89 176.01 8.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.05 130.29 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 O-C-N 120.639 -1.288 . . . . 0.0 109.067 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 38.4 t0 -93.71 167.74 11.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.789 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.419 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -59.66 -37.42 78.69 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.313 -178.254 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.93 -24.4 63.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -85.47 -51.05 6.79 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.123 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.643 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 1.3 t80 -62.9 -46.86 85.85 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.792 0.806 . . . . 0.0 111.236 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.93 -38.74 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.104 -0.998 . . . . 0.0 110.667 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.67 -39.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 C-N-CA 118.961 -1.095 . . . . 0.0 109.139 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.468 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.1 tm? -60.19 -51.81 67.99 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.205 -0.935 . . . . 0.0 112.349 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -62.78 -29.38 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.605 -1.309 . . . . 0.0 109.695 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.44 -34.87 70.66 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.326 -0.859 . . . . 0.0 110.084 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.66 -20.92 27.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.579 ' CD1' ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -81.98 -31.35 31.17 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 119.388 -2.07 . . . . 0.0 108.348 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.579 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 3.6 t -72.13 -42.57 65.86 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.982 -1.074 . . . . 0.0 110.944 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.486 ' CG2' ' N ' ' B' ' 84' ' ' ALA . 18.1 m -60.16 -45.05 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.966 -1.084 . . . . 0.0 109.116 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.486 ' N ' ' CG2' ' B' ' 83' ' ' VAL . . . -67.54 -29.4 68.78 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.465 0.65 . . . . 0.0 109.306 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.39 -39.91 94.79 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.456 -0.778 . . . . 0.0 109.136 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -61.01 -32.89 72.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.343 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.84 -39.6 85.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.256 -0.903 . . . . 0.0 108.925 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -84.49 -6.9 59.41 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.924 -1.11 . . . . 0.0 109.983 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.06 -35.46 66.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.901 -1.124 . . . . 0.0 109.021 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 . . . . . 0 N--CA 1.488 1.473 0 O-C-N 121.784 -0.572 . . . . 0.0 110.868 -178.426 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.45 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 3.4 pt . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' X' ' 6' ' ' ASP . 24.5 p-10 -109.93 17.72 20.84 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.034 -1.041 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' X' ' 10' ' ' ILE . 62.1 t90 -59.88 -47.52 85.43 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.172 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.557 ' ND2' ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -50.76 -33.36 22.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 119.893 -1.754 . . . . 0.0 109.116 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.92 -25.28 65.01 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' X' ' 7' ' ' TRP . 9.8 tt -50.77 -43.22 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.4 tp -71.04 -41.13 71.2 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.08 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.448 ' O ' ' O ' ' X' ' 11' ' ' LEU . 3.1 t . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.161 -0.923 . . . . 0.0 109.649 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.409 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.9 pt . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -108.78 16.99 22.34 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.901 0.857 . . . . 0.0 108.79 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.557 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 56.4 t90 -59.89 -49.95 75.67 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 110.585 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.534 HD22 ' CG1' ' B' ' 57' ' ' ILE . 1.0 OUTLIER -52.07 -31.23 29.43 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 119.622 -1.923 . . . . 0.0 108.987 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.94 -23.89 63.92 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.557 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.96 -37.38 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.402 ' N ' HG23 ' Y' ' 10' ' ' ILE . 3.0 tt -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.588 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.93 0 N-CA-C 120.046 2.778 . . . . 0.0 120.046 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -86.93 36.34 0.72 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.474 -1.016 . . . . 0.0 110.126 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.28 -42.61 95.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.06 -1.025 . . . . 0.0 110.974 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 58.5 tp -62.33 -42.31 99.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.6 -1.312 . . . . 0.0 109.79 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.66 -38.62 85.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.119 -0.988 . . . . 0.0 109.238 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.445 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.5 m -48.75 -45.75 40.14 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 122.072 0.939 . . . . 0.0 110.213 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -28.61 64.56 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.2 ttt -70.31 -52.15 24.96 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.057 -1.652 . . . . 0.0 110.916 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.54 -29.49 70.12 Favored 'General case' 0 C--N 1.289 -2.022 0 O-C-N 121.623 -0.673 . . . . 0.0 110.303 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.52 -58.65 6.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.983 . . . . 0.0 110.239 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.46 -40.06 61.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.384 -1.448 . . . . 0.0 110.047 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.442 HG22 HD12 ' A' ' 12' ' ' ILE . 81.0 mt -64.54 -39.44 85.6 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 O-C-N 120.996 -1.065 . . . . 0.0 112.0 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -79.02 -44.76 21.6 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.042 -1.661 . . . . 0.0 112.451 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 7.9 p -59.93 -40.65 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.825 -1.172 . . . . 0.0 109.145 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.442 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 40.8 t80 -62.52 -40.4 96.61 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.711 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.0 -27.25 64.54 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.493 -1.379 . . . . 0.0 109.718 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -55.67 31.5 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.416 -0.802 . . . . 0.0 112.465 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.523 ' CE1' ' HG ' ' A' ' 19' ' ' SER . 7.8 p-80 -86.66 -38.83 16.66 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.278 -0.889 . . . . 0.0 111.32 -178.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.523 ' HG ' ' CE1' ' A' ' 18' ' ' HIS . 46.7 m -54.16 -29.09 44.3 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 112.372 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.56 11.04 25.86 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.87 -1.144 . . . . 0.0 112.574 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -114.82 -73.49 0.65 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 119.361 1.58 . . . . 0.0 108.884 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -87.69 76.46 8.84 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.45 -153.85 25.15 Favored Glycine 0 N--CA 1.488 2.112 0 C-N-CA 119.487 -1.339 . . . . 0.0 111.065 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -75.47 157.24 34.31 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.678 0.752 . . . . 0.0 110.239 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -50.74 70.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.591 -0.693 . . . . 0.0 111.994 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 41.5 t80 -134.69 37.67 3.08 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.556 -1.34 . . . . 0.0 111.222 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HZ2' ' H ' ' A' ' 28' ' ' LEU . 1.3 tptp -139.86 142.82 36.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.906 -1.121 . . . . 0.0 108.675 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.419 ' H ' ' HZ2' ' A' ' 27' ' ' LYS . 4.1 tp -92.51 150.24 20.88 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 59.9 m -129.65 166.7 19.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.909 -1.12 . . . . 0.0 108.294 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -46.44 -32.77 3.49 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.628 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -82.85 -38.39 23.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.757 -1.215 . . . . 0.0 111.232 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.454 ' HB2' ' H ' ' A' ' 29' ' ' SER . 34.4 mt-10 -70.03 -39.94 75.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.119 -1.613 . . . . 0.0 109.798 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 1.7 pp -59.37 -52.17 66.76 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.472 -1.392 . . . . 0.0 110.507 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.518 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 78.2 tttt -60.12 -40.15 88.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.746 -1.221 . . . . 0.0 112.369 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 51.1 t0 -62.38 -40.73 97.4 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.017 -1.052 . . . . 0.0 110.589 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.7 tp -59.99 -49.6 77.04 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.724 -0.61 . . . . 0.0 111.893 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 4.0 mm? -70.3 -40.41 74.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.912 -1.118 . . . . 0.0 112.884 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.55 -23.09 59.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 112.619 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.7 m -59.59 -45.44 91.87 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.809 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 60.2 mt-10 -107.01 -39.54 5.72 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.46 -0.775 . . . . 0.0 111.361 -177.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 8.1 mp -99.47 42.58 1.1 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.904 -1.122 . . . . 0.0 108.782 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.412 ' OG ' ' OE1' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -60.07 -45.24 93.55 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.499 0.666 . . . . 0.0 109.982 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.0 t -85.03 -20.07 31.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.474 -0.766 . . . . 0.0 111.873 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.68 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 1.9 t80 -89.0 -105.09 0.09 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.491 -1.381 . . . . 0.0 111.483 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.68 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 1.4 tp -13.08 150.78 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.93 0 CA-C-O 117.435 -1.269 . . . . 0.0 110.24 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.45 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 33.5 t0 -93.75 103.69 15.81 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 124.271 3.214 . . . . 0.0 109.089 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -142.39 -56.32 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 O-C-N 120.348 -1.47 . . . . 0.0 110.212 179.123 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.5 pt20 -81.55 -35.93 29.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.776 -1.202 . . . . 0.0 109.727 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.555 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -68.37 -22.57 64.65 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.09 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 46' ' ' ASP . 76.9 m-20 -141.65 91.95 2.41 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.52 69.98 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.86 -38.57 82.5 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.75 76.46 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.826 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -39.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.484 -1.385 . . . . 0.0 107.934 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -61.1 -39.97 91.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.257 -0.902 . . . . 0.0 110.658 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.76 -40.04 94.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.514 -1.366 . . . . 0.0 109.425 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.557 ' CD1' ' ND2' ' X' ' 8' ' ' ASN . 49.2 mt -70.95 -51.3 36.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.534 0.683 . . . . 0.0 111.699 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.1 tpt -60.27 -42.76 96.07 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 121.057 -1.027 . . . . 0.0 110.041 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -43.51 98.72 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.09 -28.41 67.8 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.551 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.8 mt -94.76 -20.02 19.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.553 -0.717 . . . . 0.0 110.73 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' MET . 95.2 m-20 -74.28 41.87 0.15 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.648 -1.282 . . . . 0.0 107.998 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.551 ' H ' ' C ' ' A' ' 61' ' ' LEU . 100.0 mt-10 -59.76 -40.38 87.98 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.564 -0.854 . . . . 0.0 108.849 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.88 -19.42 61.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.68 32.44 64.23 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -93.43 -6.43 47.06 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.439 -1.036 . . . . 0.0 111.894 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.99 5.84 66.31 Favored Glycine 0 N--CA 1.499 2.862 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.86 175.48 8.01 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.401 ' O ' ' CB ' ' A' ' 28' ' ' LEU . 5.7 t -135.44 130.47 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 O-C-N 120.422 -1.424 . . . . 0.0 109.104 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.548 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -97.73 155.62 16.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.693 -1.254 . . . . 0.0 108.867 -179.66 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 24.5 t80 -52.51 -22.77 5.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -80.69 -22.5 40.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.843 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -80.8 -52.03 7.96 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.49 -0.756 . . . . 0.0 109.552 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -76.85 -40.96 45.93 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.319 -0.953 . . . . 0.0 111.558 -178.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.521 ' CG2' ' CE1' ' A' ' 71' ' ' PHE . 58.9 t -53.94 -38.97 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 119.995 -1.691 . . . . 0.0 108.032 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.99 -37.15 71.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -69.98 -55.97 8.22 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -177.063 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.3 m -49.85 -36.39 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 120.513 -1.367 . . . . 0.0 107.725 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.38 90.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -78.66 -24.25 45.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.1 mt -85.83 -46.36 10.71 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 119.513 -1.992 . . . . 0.0 109.429 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 t -57.49 -42.02 81.84 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.331 -0.856 . . . . 0.0 111.069 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 84' ' ' ALA . 31.0 m -60.05 -42.81 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.58 -1.325 . . . . 0.0 108.717 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' CG2' ' A' ' 83' ' ' VAL . . . -60.56 -31.03 70.16 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.05 -39.65 82.97 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.51 -0.744 . . . . 0.0 109.993 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' ND2' ' OH ' ' B' ' 26' ' ' TYR . 57.9 t-20 -60.16 -39.5 86.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.093 -1.005 . . . . 0.0 108.804 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.25 -39.77 87.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.064 -1.022 . . . . 0.0 109.456 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 61.1 t80 -83.17 -4.45 58.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.417 -0.802 . . . . 0.0 109.647 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -80.76 -9.01 59.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.949 . . . . 0.0 109.127 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 t90 . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.318 -0.864 . . . . 0.0 109.73 -179.592 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.27 -42.35 95.22 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.194 -0.942 . . . . 0.0 110.932 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.483 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 59.9 tp -62.9 -41.95 99.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.65 -1.281 . . . . 0.0 109.716 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.38 -39.14 86.21 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.142 -0.974 . . . . 0.0 109.315 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.455 ' O ' ' OG1' ' B' ' 10' ' ' THR . 18.0 m -48.45 -45.82 37.0 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 122.027 0.918 . . . . 0.0 110.198 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.44 -29.13 65.63 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.5 ttt -70.73 -51.8 25.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.085 -1.635 . . . . 0.0 110.968 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.94 -28.43 68.91 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.545 -0.722 . . . . 0.0 110.302 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -63.34 -58.51 6.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 110.151 -179.256 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -52.46 -39.79 61.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.38 -1.45 . . . . 0.0 109.969 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.412 HD13 HG23 ' B' ' 12' ' ' ILE . 81.4 mt -64.8 -39.89 87.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 120.949 -1.095 . . . . 0.0 112.131 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -78.97 -44.11 23.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.054 -1.654 . . . . 0.0 112.46 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 7.9 p -60.7 -40.17 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.801 -1.187 . . . . 0.0 108.889 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.437 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 42.4 t80 -62.65 -40.15 96.12 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.705 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -70.09 -27.76 64.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.447 -1.408 . . . . 0.0 109.695 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.7 30.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.37 -0.832 . . . . 0.0 112.544 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.456 ' CG ' ' N ' ' B' ' 19' ' ' SER . 7.8 p-80 -86.46 -39.01 16.73 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.33 -0.856 . . . . 0.0 111.339 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' B' ' 18' ' ' HIS . 45.7 m -54.03 -29.29 43.17 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.382 -0.824 . . . . 0.0 112.632 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 11.26 25.67 Favored Glycine 0 N--CA 1.508 3.454 0 O-C-N 120.875 -1.141 . . . . 0.0 112.42 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -115.01 -73.38 0.65 Allowed 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 119.352 1.576 . . . . 0.0 108.931 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -87.75 75.81 8.89 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.016 -1.053 . . . . 0.0 108.234 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.56 -153.77 25.06 Favored Glycine 0 N--CA 1.487 2.042 0 C-N-CA 119.45 -1.357 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -75.94 157.49 33.12 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.877 -0.778 . . . . 0.0 110.248 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.4 ' H ' ' CD ' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -55.86 -50.79 69.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.646 -0.659 . . . . 0.0 112.0 -177.287 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 42.8 t80 -134.67 37.34 3.09 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.44 -1.412 . . . . 0.0 111.242 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.409 ' NZ ' ' H ' ' B' ' 28' ' ' LEU . 1.0 OUTLIER -139.52 142.84 37.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.01 -1.056 . . . . 0.0 108.717 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.409 ' H ' ' NZ ' ' B' ' 27' ' ' LYS . 4.1 tp -92.4 150.25 20.92 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.446 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 51.2 m -129.7 166.69 19.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.977 -1.077 . . . . 0.0 108.256 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -46.45 -33.0 3.63 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.067 -1.021 . . . . 0.0 109.567 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -82.95 -38.01 23.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.671 -1.268 . . . . 0.0 111.161 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.446 ' HB2' ' H ' ' B' ' 29' ' ' SER . 33.6 mt-10 -70.21 -39.71 74.97 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 119.946 -1.721 . . . . 0.0 109.791 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 1.7 pp -59.56 -51.72 68.61 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.53 -1.356 . . . . 0.0 110.262 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.526 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 76.3 tttt -60.32 -40.38 90.37 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.875 -1.141 . . . . 0.0 112.367 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 51.5 t0 -62.44 -40.45 96.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.996 -1.065 . . . . 0.0 110.676 -178.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.673 -0.642 . . . . 0.0 111.678 -177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 4.0 mm? -70.25 -40.87 74.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.855 -1.153 . . . . 0.0 112.821 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.1 -22.87 60.48 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.024 -1.048 . . . . 0.0 112.651 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.2 m -59.62 -45.76 90.98 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 117.914 -1.514 . . . . 0.0 108.712 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 61.7 mt-10 -106.96 -38.72 5.96 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.283 -0.886 . . . . 0.0 111.407 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 8.2 mp -99.84 42.43 1.11 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.869 -1.144 . . . . 0.0 108.801 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.407 ' OG ' ' OE1' ' B' ' 48' ' ' GLN . 0.3 OUTLIER -60.02 -45.22 93.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.458 0.647 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.3 t -85.16 -19.5 31.68 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.474 -0.766 . . . . 0.0 111.863 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 1.9 t80 -89.72 -92.16 0.13 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.469 -1.395 . . . . 0.0 113.318 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.554 ' N ' ' CG ' ' B' ' 44' ' ' PHE . 2.0 tp -36.91 157.4 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 33.2 t0 -93.54 102.84 15.05 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 122.437 2.38 . . . . 0.0 108.888 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -142.68 -55.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 O-C-N 120.586 -1.321 . . . . 0.0 110.065 179.249 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.462 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.3 pt20 -82.22 -35.92 27.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.764 -1.21 . . . . 0.0 109.772 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.582 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -68.92 -22.27 64.16 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.091 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 76.9 m-20 -141.42 91.91 2.42 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.87 70.22 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.95 -38.71 83.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.27 77.09 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.64 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -38.9 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.318 -1.488 . . . . 0.0 107.96 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -61.3 -40.14 93.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.329 -0.857 . . . . 0.0 110.793 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.49 -40.06 94.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.436 -1.415 . . . . 0.0 109.477 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.534 ' CG1' HD22 ' Y' ' 8' ' ' ASN . 41.5 mt -70.8 -51.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.461 0.648 . . . . 0.0 111.789 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.421 ' O ' ' N ' ' B' ' 62' ' ' ASP . 3.0 tpt -60.65 -42.37 96.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.042 -1.036 . . . . 0.0 109.976 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.38 98.97 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.95 -26.43 67.52 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.556 ' C ' ' H ' ' B' ' 63' ' ' GLU . 42.6 mt -96.27 -20.19 18.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 110.488 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' B' ' 58' ' ' MET . 94.5 m-20 -74.31 42.1 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.78 -1.2 . . . . 0.0 108.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.556 ' H ' ' C ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -60.07 -40.08 88.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.8 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.94 -19.17 61.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.59 32.38 64.53 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -93.91 -6.35 45.81 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.345 -1.091 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.55 6.56 66.54 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -127.0 175.13 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' B' ' 28' ' ' LEU . 5.3 t -134.96 130.75 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 O-C-N 120.258 -1.526 . . . . 0.0 109.064 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 70' ' ' ASP . 0.9 OUTLIER -97.82 155.7 16.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.677 -1.264 . . . . 0.0 108.735 -179.655 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 26.5 t80 -52.65 -22.74 5.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.563 -0.711 . . . . 0.0 109.304 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -80.64 -22.52 40.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.865 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -81.11 -51.33 8.58 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.288 -0.882 . . . . 0.0 109.626 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -76.94 -41.68 42.35 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.343 -178.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.531 ' CG2' ' CE1' ' B' ' 71' ' ' PHE . 78.4 t -53.83 -38.67 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.041 -1.662 . . . . 0.0 108.104 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.05 -37.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' B' ' 80' ' ' ALA . 0.5 OUTLIER -69.96 -55.97 8.24 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -177.182 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.95 -35.54 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 120.602 -1.311 . . . . 0.0 107.607 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.58 95.07 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -78.11 -24.29 47.57 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.54 -47.12 10.19 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 119.577 -1.952 . . . . 0.0 109.559 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -56.59 -42.18 78.25 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.396 -0.815 . . . . 0.0 110.953 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' B' ' 84' ' ' ALA . 28.4 m -60.18 -43.27 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.551 -1.343 . . . . 0.0 108.733 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.407 ' N ' ' CG2' ' B' ' 83' ' ' VAL . . . -60.87 -30.61 70.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.488 -0.757 . . . . 0.0 108.987 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.2 -39.22 82.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.509 -0.745 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.412 ' ND2' ' OH ' ' A' ' 26' ' ' TYR . 57.8 t-20 -60.14 -39.52 86.6 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 108.921 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.121 -0.987 . . . . 0.0 109.398 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.443 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 63.7 t80 -82.94 -4.29 58.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.53 -0.731 . . . . 0.0 109.684 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -81.19 -8.99 59.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.124 -0.985 . . . . 0.0 109.071 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.2 t90 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.367 -0.833 . . . . 0.0 109.706 -179.71 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 pt . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.889 0.852 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -120.8 28.18 8.08 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' X' ' 10' ' ' ILE . 61.8 t90 -59.98 -50.25 74.48 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.134 -0.979 . . . . 0.0 111.398 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.57 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 13.3 t-20 -52.88 -27.94 20.88 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 119.275 -2.141 . . . . 0.0 107.884 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -24.59 63.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.584 ' N ' ' O ' ' X' ' 7' ' ' TRP . 6.6 tt -53.29 -37.06 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 53.7 tp -65.68 -41.1 92.84 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.941 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.048 179.539 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 24.2 pt . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -132.52 21.84 4.32 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.297 -0.877 . . . . 0.0 109.575 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.618 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 20.5 p-90 -58.82 -40.25 83.6 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.713 -1.242 . . . . 0.0 108.056 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.473 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 22.8 t-20 -51.25 -30.55 18.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.072 -1.642 . . . . 0.0 107.846 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' Y' ' 12' ' ' SER . 56.9 tttm -59.79 -24.91 64.5 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.618 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -49.04 -40.08 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 64.0 tp -63.5 -40.05 96.04 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . 0.473 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.9 m . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.275 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.484 2.553 . . . . 0.0 119.484 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -102.08 22.32 13.34 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.462 -1.022 . . . . 0.0 109.568 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.38 89.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.038 -1.039 . . . . 0.0 110.683 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.4 -41.83 98.97 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.454 -1.404 . . . . 0.0 108.866 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.96 -38.99 87.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.528 -0.732 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.0 m -52.7 -44.56 66.37 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.475 0.655 . . . . 0.0 110.5 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.4 65.53 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ttt -71.33 -49.31 43.85 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.26 -1.525 . . . . 0.0 110.784 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.93 -24.6 63.39 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.686 -0.634 . . . . 0.0 110.577 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.44 -58.99 3.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 109.998 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 7.2 mp -47.91 -36.57 12.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.504 -1.372 . . . . 0.0 109.105 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.33 -39.97 79.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 O-C-N 121.387 -0.82 . . . . 0.0 112.26 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -83.57 -43.63 15.48 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 119.703 -1.873 . . . . 0.0 113.295 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.29 -41.86 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.312 -1.492 . . . . 0.0 109.014 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.8 m-30 -63.04 -39.37 94.55 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.125 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -60.21 -39.97 88.45 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.93 -1.106 . . . . 0.0 109.857 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.5 -55.39 16.24 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.902 . . . . 0.0 112.557 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.52 -41.23 55.72 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.993 -1.067 . . . . 0.0 111.371 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.9 t -62.35 -23.54 66.84 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.475 -0.766 . . . . 0.0 112.417 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.39 2.2 32.77 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.69 ' C ' ' H ' ' A' ' 23' ' ' GLY . 35.4 ttmt -124.65 -75.9 0.59 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.533 -0.981 . . . . 0.0 108.999 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -57.29 15.26 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.8 -1.187 . . . . 0.0 110.716 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.69 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -166.65 163.84 37.28 Favored Glycine 0 N--CA 1.485 1.911 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 31.2 t0 -77.72 162.17 27.18 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.503 -0.998 . . . . 0.0 108.64 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 27.7 tptp -67.76 84.45 0.2 Allowed 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ASP . 58.3 t80 -146.89 -55.0 0.24 Allowed 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.903 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.412 ' CG ' ' H ' ' A' ' 28' ' ' LEU . 3.0 ttpt -178.72 -176.35 0.46 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.412 ' H ' ' CG ' ' A' ' 27' ' ' LYS . 2.2 tp -87.18 105.19 17.03 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.584 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 60.4 m -70.45 156.01 39.93 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.168 -1.583 . . . . 0.0 108.118 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.498 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.0 tttt -42.94 -30.35 0.4 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.594 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -25.54 28.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.654 -1.279 . . . . 0.0 109.643 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.584 ' CD ' ' H ' ' A' ' 29' ' ' SER . 36.6 mt-10 -69.98 -42.42 73.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.804 -1.185 . . . . 0.0 109.898 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.441 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 3.8 pp -65.18 -41.7 94.36 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.103 0.954 . . . . 0.0 109.765 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.441 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 80.1 tttt -61.57 -46.88 88.01 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.59 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' OG1' ' A' ' 39' ' ' THR . 54.9 t0 -68.61 -38.69 80.81 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.656 0.741 . . . . 0.0 110.423 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -60.94 -39.2 88.56 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.492 -0.755 . . . . 0.0 111.144 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -81.44 -48.76 11.47 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -65.8 -27.45 68.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.093 -1.004 . . . . 0.0 111.636 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 96.6 m -59.03 -46.18 88.87 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.17 -175.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -107.91 -15.26 14.58 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.296 -0.878 . . . . 0.0 111.696 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 mt -131.53 49.03 2.36 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.085 -1.009 . . . . 0.0 109.611 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.548 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 45.4 t -63.28 -49.98 71.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.609 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -64.24 -40.4 95.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.444 -0.785 . . . . 0.0 111.565 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.604 ' O ' ' O ' ' A' ' 45' ' ' LEU . 37.5 t80 -86.48 -101.28 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.701 -1.25 . . . . 0.0 111.068 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.604 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -8.54 133.89 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.079 0 CA-C-O 114.993 -2.432 . . . . 0.0 109.629 177.797 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.57 ' OD2' ' N ' ' X' ' 8' ' ' ASN . 42.3 m-20 -88.81 118.63 28.65 Favored 'General case' 0 N--CA 1.521 3.099 1 CA-C-N 127.785 4.811 . . . . 0.0 109.237 176.176 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.5 t -146.9 -83.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.912 -1.117 . . . . 0.0 110.271 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.528 ' NE2' ' OG ' ' A' ' 42' ' ' SER . 12.4 pt20 -63.31 -41.64 98.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.419 -0.801 . . . . 0.0 112.058 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.548 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 20.5 mtmm -60.81 -39.09 87.65 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 120.697 -1.252 . . . . 0.0 108.12 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -123.26 91.37 3.47 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.25 70.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.26 -39.81 88.13 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.07 79.49 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.691 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -37.38 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.491 -1.381 . . . . 0.0 109.005 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.498 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 95.5 m-20 -64.7 -42.16 95.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.148 -0.97 . . . . 0.0 110.791 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.82 -39.64 93.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.986 -1.071 . . . . 0.0 109.581 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.7 mm -66.23 -56.55 14.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.692 -0.63 . . . . 0.0 111.618 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -62.45 -36.14 81.5 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.038 -1.039 . . . . 0.0 111.586 -178.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -60.05 -41.95 93.4 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.16 -23.55 64.02 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 63' ' ' GLU . 32.5 mt -96.65 -25.2 15.66 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 110.476 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 58' ' ' MET . 13.0 t0 -73.01 50.17 0.26 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 61' ' ' LEU . 93.8 mt-10 -60.04 -40.18 88.49 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.912 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -78.39 -20.88 50.24 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.0 39.14 28.53 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 107.009 -2.436 . . . . 0.0 107.009 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 31.1 p-10 -94.27 -12.48 28.03 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.602 -0.94 . . . . 0.0 112.078 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.12 0.44 80.61 Favored Glycine 0 N--CA 1.504 3.221 0 O-C-N 120.788 -1.195 . . . . 0.0 110.928 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 37.7 mp0 -137.89 177.93 7.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.629 -1.512 . . . . 0.0 107.872 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.15 132.21 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.443 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' GLU . 29.6 t0 -95.87 147.78 23.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.409 -0.807 . . . . 0.0 109.128 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 13.5 t80 -46.58 -26.96 0.99 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.52 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -77.59 -29.2 51.9 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.931 -1.106 . . . . 0.0 108.808 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.3 mt-10 -83.44 -45.92 13.1 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 122.24 1.019 . . . . 0.0 109.109 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -60.42 -49.88 75.81 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.641 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.505 ' CG2' ' CE1' ' A' ' 71' ' ' PHE . 55.9 t -61.2 -39.98 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.776 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.35 -30.47 30.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.7 -1.25 . . . . 0.0 108.673 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.98 -56.06 4.67 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.338 -0.851 . . . . 0.0 112.792 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 m -51.46 -34.06 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.433 -1.417 . . . . 0.0 109.177 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.01 -39.83 63.34 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.538 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.8 -24.76 55.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.088 -1.007 . . . . 0.0 113.148 -176.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 pp -83.56 -40.09 19.56 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 119.762 -1.836 . . . . 0.0 109.906 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -59.82 -41.51 91.47 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.33 -0.856 . . . . 0.0 110.343 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 6.8 m -58.89 -40.05 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.53 -25.83 64.22 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.49 -39.96 81.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 109.585 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -60.02 -39.85 87.25 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.428 -0.795 . . . . 0.0 109.321 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.97 -39.85 87.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.412 -0.805 . . . . 0.0 110.089 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.53 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 6.6 t80 -89.11 -5.57 57.7 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.16 -0.963 . . . . 0.0 109.508 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -89.85 -3.86 57.88 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 108.937 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.1 t90 . . . . . 0 C--N 1.302 -1.499 0 O-C-N 121.615 -0.678 . . . . 0.0 109.699 -179.163 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.9 -40.64 89.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -0.95 . . . . 0.0 110.639 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.34 -41.89 98.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.541 -1.349 . . . . 0.0 108.747 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.77 -39.25 88.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.84 . . . . 0.0 109.027 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' B' ' 10' ' ' THR . 23.5 m -52.54 -44.47 65.82 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.506 0.67 . . . . 0.0 110.703 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.99 64.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ttt -71.65 -49.2 42.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.295 -1.503 . . . . 0.0 110.666 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.86 -24.23 63.4 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.58 -0.7 . . . . 0.0 110.596 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -68.93 -58.75 3.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.12 . . . . 0.0 110.038 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 7.2 mp -48.3 -36.48 14.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.376 -1.452 . . . . 0.0 108.919 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -69.38 -39.91 79.4 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 O-C-N 121.47 -0.769 . . . . 0.0 112.53 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -83.52 -43.74 15.42 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.676 -1.89 . . . . 0.0 113.448 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.42 HG12 ' H ' ' B' ' 15' ' ' PHE . 2.2 p -62.23 -41.68 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.404 -1.435 . . . . 0.0 108.975 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' B' ' 11' ' ' LEU . 7.7 m-30 -63.2 -39.64 95.21 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.086 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -59.89 -40.01 87.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.18 -55.56 14.67 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.236 -0.915 . . . . 0.0 112.598 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -75.66 -41.26 54.46 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.114 -0.991 . . . . 0.0 111.477 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.0 t -62.07 -23.94 66.8 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.325 -0.859 . . . . 0.0 112.437 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.26 2.25 33.03 Favored Glycine 0 N--CA 1.504 3.206 0 O-C-N 120.732 -1.23 . . . . 0.0 110.092 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.686 ' C ' ' H ' ' B' ' 23' ' ' GLY . 35.7 ttmt -124.67 -75.64 0.6 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.455 -1.026 . . . . 0.0 108.949 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.43 15.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.748 -1.22 . . . . 0.0 110.795 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.686 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -166.45 164.2 37.47 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 31.8 t0 -78.01 162.24 26.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.575 -0.956 . . . . 0.0 108.597 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 27.6 tptp -67.87 83.77 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' B' ' 24' ' ' ASP . 60.9 t80 -146.12 -55.28 0.28 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.999 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.408 ' CG ' ' H ' ' B' ' 28' ' ' LEU . 3.2 ttpt -178.49 -176.72 0.51 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.408 ' H ' ' CG ' ' B' ' 27' ' ' LYS . 2.0 tp -86.61 105.45 16.88 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.58 ' H ' ' CD ' ' B' ' 32' ' ' GLU . 67.4 m -70.77 156.08 39.97 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.167 -1.583 . . . . 0.0 108.04 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.512 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 66.3 tttt -43.14 -30.35 0.45 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -25.51 28.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.622 -1.298 . . . . 0.0 109.701 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.58 ' CD ' ' H ' ' B' ' 29' ' ' SER . 36.3 mt-10 -69.97 -42.42 73.15 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.654 -1.279 . . . . 0.0 109.851 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 3.7 pp -65.17 -41.6 94.49 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.162 0.982 . . . . 0.0 109.879 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.447 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 79.2 tttt -61.81 -46.83 87.8 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.538 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.47 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 t0 -68.68 -38.61 80.49 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.729 0.776 . . . . 0.0 110.401 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -61.07 -39.0 88.22 Favored 'General case' 0 C--N 1.286 -2.188 0 O-C-N 121.474 -0.766 . . . . 0.0 111.273 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -81.54 -48.81 11.33 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.967 -1.083 . . . . 0.0 113.674 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.77 -27.26 68.16 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.102 0.954 . . . . 0.0 111.727 -176.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 97.0 m -59.13 -46.48 88.24 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.027 -175.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -107.69 -15.29 14.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.307 -0.871 . . . . 0.0 111.714 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 mt -131.1 48.12 2.46 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.084 -1.01 . . . . 0.0 109.789 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.525 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 45.2 t -62.92 -50.26 71.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.766 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.5 t -64.18 -40.01 95.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.798 . . . . 0.0 111.531 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.556 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.4 t80 -87.7 -87.77 0.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.598 -1.314 . . . . 0.0 112.12 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.556 ' C ' ' O ' ' B' ' 44' ' ' PHE . 0.2 OUTLIER -31.06 141.01 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.859 0 CA-C-O 116.85 -1.547 . . . . 0.0 108.326 -174.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' Y' ' 7' ' ' TRP . 48.3 m-20 -88.97 116.82 27.54 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 125.055 3.571 . . . . 0.0 108.712 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 76.1 t -146.51 -82.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.076 -1.015 . . . . 0.0 110.223 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.501 ' NE2' ' OG ' ' B' ' 42' ' ' SER . 12.7 pt20 -63.56 -41.68 98.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.547 -0.72 . . . . 0.0 112.027 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 21.5 mtmm -60.56 -39.5 88.2 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.893 -1.129 . . . . 0.0 107.976 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 89.6 m-20 -123.48 91.39 3.47 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.63 70.55 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.23 -39.96 88.53 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.06 80.2 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 118.976 -1.09 . . . . 0.0 109.502 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -37.73 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.634 -1.291 . . . . 0.0 108.952 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.512 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.3 m-20 -64.47 -42.41 95.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 0.0 110.899 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.52 -40.0 94.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.047 -1.033 . . . . 0.0 109.619 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.404 HD13 HD22 ' Y' ' 8' ' ' ASN . 5.6 mm -65.99 -56.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.861 -0.524 . . . . 0.0 111.745 -178.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -62.67 -36.24 82.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.998 -1.064 . . . . 0.0 111.395 -177.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -59.95 -42.41 94.0 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.42 ' OE2' ' OG ' ' Y' ' 12' ' ' SER . 96.2 mt-10 -60.33 -21.92 62.62 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.581 ' C ' ' H ' ' B' ' 63' ' ' GLU . 34.0 mt -97.84 -25.5 15.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.584 -0.698 . . . . 0.0 110.322 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' B' ' 58' ' ' MET . 13.5 t0 -72.97 50.12 0.26 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.581 ' H ' ' C ' ' B' ' 61' ' ' LEU . 93.5 mt-10 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.059 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -78.44 -21.04 49.75 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.01 39.24 28.26 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 106.899 -2.48 . . . . 0.0 106.899 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 33.1 p-10 -94.21 -12.51 28.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.663 -0.904 . . . . 0.0 112.064 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.8 80.94 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.774 -1.204 . . . . 0.0 110.992 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 38.1 mp0 -138.04 178.21 7.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.508 -1.584 . . . . 0.0 107.842 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -121.36 132.11 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 0.0 109.422 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' B' ' 73' ' ' GLU . 29.8 t0 -95.88 147.7 23.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.127 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 13.2 t80 -46.25 -27.23 0.96 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.595 -0.691 . . . . 0.0 109.476 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -77.61 -28.94 51.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.9 -1.125 . . . . 0.0 108.79 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-10 -83.67 -45.96 12.84 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.266 1.032 . . . . 0.0 108.916 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -60.5 -49.81 76.07 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.76 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.519 ' CG2' ' CE1' ' B' ' 71' ' ' PHE . 54.7 t -61.26 -40.01 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.519 -0.738 . . . . 0.0 110.741 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 46.6 t -55.88 -30.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 O-C-N 120.661 -1.274 . . . . 0.0 108.76 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.03 -56.23 4.54 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.369 -0.832 . . . . 0.0 112.796 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -51.18 -33.81 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.412 -1.43 . . . . 0.0 109.197 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.651 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.417 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -76.51 -24.7 53.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' B' ' 82' ' ' THR . 2.7 pp -83.15 -39.97 20.34 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 119.719 -1.863 . . . . 0.0 109.827 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.408 ' H ' ' HG ' ' B' ' 81' ' ' LEU . 2.2 t -60.04 -42.16 93.84 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 8.8 m -58.58 -39.82 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.04 -25.5 63.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.52 -39.95 80.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.222 -0.924 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.93 -39.89 87.01 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.303 -0.873 . . . . 0.0 109.261 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.07 -39.87 87.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.863 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 6.1 t80 -89.06 -5.33 57.95 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.066 -1.021 . . . . 0.0 109.648 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -90.0 -3.98 57.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.071 -1.018 . . . . 0.0 108.926 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.4 t90 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.524 -0.735 . . . . 0.0 109.568 -179.276 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 50.7 pt . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 110.645 -0.131 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 5.6 p-10 37.92 24.76 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.423 -0.798 . . . . 0.0 110.559 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.569 ' O ' ' N ' ' X' ' 10' ' ' ILE . 46.3 t90 -60.94 -52.79 63.52 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.874 -1.141 . . . . 0.0 110.493 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' X' ' 11' ' ' LEU . 1.7 t30 -52.44 -29.51 24.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 119.578 -1.951 . . . . 0.0 108.263 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -54.82 -24.95 25.22 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.569 ' N ' ' O ' ' X' ' 7' ' ' TRP . 4.0 tt -53.55 -38.3 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' X' ' 8' ' ' ASN . 38.4 tp -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.146 179.597 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.501 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 122.424 1.107 . . . . 0.0 109.604 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -123.78 28.11 7.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.841 -1.162 . . . . 0.0 107.972 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.615 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 7.7 p-90 -58.07 -44.42 87.5 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.817 -1.177 . . . . 0.0 109.032 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.512 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 12.4 t-20 -51.24 -28.64 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 119.857 -1.777 . . . . 0.0 107.952 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -58.09 -26.12 62.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -49.79 -39.88 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 177.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 29.2 tp -70.16 -39.95 75.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.704 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 1.4 p . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.958 0 N-CA-C 119.308 2.483 . . . . 0.0 119.308 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -107.02 -104.41 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.752 -1.44 . . . . 0.0 110.162 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.91 -42.71 94.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.715 -1.241 . . . . 0.0 111.76 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.97 -41.18 74.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.696 -1.252 . . . . 0.0 111.138 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -67.07 -37.08 83.37 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.22 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -59.87 -47.13 86.99 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.08 -27.23 64.45 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.6 ppp? -75.87 -44.62 39.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 119.97 -1.707 . . . . 0.0 109.849 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.44 -36.39 71.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.274 -0.891 . . . . 0.0 110.864 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -61.5 -54.93 36.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.476 -1.39 . . . . 0.0 109.772 -178.616 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 10' ' ' THR . 9.0 mp -47.92 -40.24 21.41 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.269 -1.519 . . . . 0.0 108.276 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.71 -27.93 43.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 O-C-N 120.772 -1.205 . . . . 0.0 109.346 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 10' ' ' THR . 59.5 t-20 -76.26 -56.18 4.88 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.14 -0.975 . . . . 0.0 112.069 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 2.5 p -62.21 -46.11 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.503 -0.748 . . . . 0.0 110.389 -178.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.493 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 19.6 m-85 -59.98 -40.13 88.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.258 -0.901 . . . . 0.0 109.899 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -59.98 -38.65 83.16 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.023 -1.673 . . . . 0.0 109.909 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.48 21.64 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.411 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 87.4 m-70 -82.98 -41.68 18.48 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.678 -1.263 . . . . 0.0 111.637 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -60.43 -33.98 73.31 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.12 10.21 58.25 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 120.784 -1.198 . . . . 0.0 111.028 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HZ1' ' HG2' ' A' ' 22' ' ' GLU . 26.1 ttpp -122.95 -70.81 0.75 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.301 -1.117 . . . . 0.0 110.003 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 70.2 mm-40 -78.6 51.17 1.04 Allowed 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.764 -1.21 . . . . 0.0 109.338 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.98 -142.49 7.26 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.63 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 68' ' ' GLU . 96.2 m-20 -83.6 158.33 21.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.757 -0.849 . . . . 0.0 110.927 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -51.97 -59.85 3.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.767 -0.583 . . . . 0.0 111.258 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.29 26.56 9.99 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 121.263 -0.898 . . . . 0.0 111.968 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -140.34 146.35 38.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 108.476 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.03 165.05 12.83 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.602 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 73.8 m -131.89 162.24 31.1 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.062 -1.024 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -47.5 -38.56 14.14 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.287 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -79.94 -27.26 39.83 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 119.574 -1.954 . . . . 0.0 110.342 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 51.9 mt-10 -69.23 -40.04 78.19 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 121.168 -0.958 . . . . 0.0 110.374 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.9 -40.95 87.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.934 -1.104 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 119.849 -0.741 . . . . 0.0 112.223 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' O ' ' OG1' ' A' ' 39' ' ' THR . 1.9 p30 -81.18 -34.02 32.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.567 -1.333 . . . . 0.0 111.147 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.437 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 26.3 tp -61.75 -51.46 68.23 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.911 -1.118 . . . . 0.0 109.319 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.01 -41.63 74.07 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.954 0.883 . . . . 0.0 111.267 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -69.61 -39.99 76.88 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.768 0.794 . . . . 0.0 111.737 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.5 m -60.12 -49.66 76.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.556 -0.715 . . . . 0.0 111.564 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -99.94 -17.04 17.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.145 -0.972 . . . . 0.0 111.771 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -135.81 57.51 1.78 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.843 -1.161 . . . . 0.0 110.332 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.5 p -70.0 -42.11 73.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.254 -0.904 . . . . 0.0 110.107 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.442 ' HA ' ' HZ1' ' A' ' 49' ' ' LYS . 35.8 t -72.33 -43.89 63.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.384 -0.822 . . . . 0.0 111.984 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.582 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -81.8 -105.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.513 -1.367 . . . . 0.0 111.127 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.582 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -9.13 129.51 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 0 CA-C-O 115.036 -2.411 . . . . 0.0 109.257 178.009 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.579 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.5 p-10 -91.44 110.09 21.39 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-N 127.807 4.821 . . . . 0.0 110.313 177.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.79 -41.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.22 -1.55 . . . . 0.0 110.754 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.77 -44.13 7.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.02 -1.05 . . . . 0.0 111.581 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HZ1' ' HA ' ' A' ' 43' ' ' SER . 54.6 mtmt -66.41 -19.14 65.72 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.919 -1.113 . . . . 0.0 108.122 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.28 88.11 2.19 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.87 78.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.422 -0.799 . . . . 0.0 109.027 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.82 -39.89 86.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.69 -40.07 78.64 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.458 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -38.27 82.16 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 O-C-N 120.803 -1.185 . . . . 0.0 108.853 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.825 -1.172 . . . . 0.0 109.383 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -64.43 -40.12 95.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.322 -0.861 . . . . 0.0 109.478 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.7 mt -67.71 -56.11 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.693 -0.63 . . . . 0.0 111.644 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -39.46 86.73 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.906 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.54 91.08 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.56 -28.51 69.69 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.555 ' C ' ' H ' ' A' ' 63' ' ' GLU . 5.3 mt -86.74 -29.73 22.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.498 -0.752 . . . . 0.0 110.528 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 12.5 t0 -70.69 50.33 0.13 Allowed 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 61' ' ' LEU . 99.8 mt-10 -59.75 -39.92 86.38 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.6 -19.28 62.86 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.16 32.4 23.23 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 11.3 m-20 -93.06 -123.73 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.8 22.14 0.27 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 107.017 -2.433 . . . . 0.0 107.017 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' OE2' ' OD2' ' A' ' 24' ' ' ASP . 40.0 mt-10 -133.27 175.08 9.72 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.9 t -128.39 130.01 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.879 -1.138 . . . . 0.0 108.048 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.4 168.65 10.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.12 -0.987 . . . . 0.0 108.789 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -32.09 69.68 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -74.54 -29.24 61.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.443 -1.411 . . . . 0.0 109.933 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 92.4 mt-10 -83.35 -36.85 24.06 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 122.133 0.968 . . . . 0.0 109.385 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.05 -44.24 48.79 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.98 0.895 . . . . 0.0 110.956 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.03 -40.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.984 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 73' ' ' GLU . 10.9 m -61.84 -30.75 49.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.354 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -69.98 -58.22 4.1 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.309 -0.869 . . . . 0.0 111.734 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.8 m -58.7 -31.12 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.192 -0.942 . . . . 0.0 110.07 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.87 -40.13 69.17 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-O 121.82 0.819 . . . . 0.0 111.013 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.95 -26.64 48.93 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -176.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 pp -85.19 -39.59 17.65 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 119.908 -1.745 . . . . 0.0 110.433 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -54.02 -49.93 67.79 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.057 -1.027 . . . . 0.0 109.435 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.434 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 10.4 m -55.68 -40.24 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 CA-C-O 121.891 0.853 . . . . 0.0 108.825 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.29 -22.64 66.87 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.653 -0.654 . . . . 0.0 109.821 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.9 t -69.84 -40.01 76.08 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.187 -0.945 . . . . 0.0 110.629 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.608 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.8 OUTLIER -66.4 -40.2 89.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.75 -1.219 . . . . 0.0 109.413 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.608 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 26.3 t-20 -65.62 -37.76 87.5 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.475 -0.766 . . . . 0.0 110.734 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -88.61 -6.84 57.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 110.458 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -94.99 -19.87 19.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.06 -1.025 . . . . 0.0 109.831 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 81.5 t90 . . . . . 0 N--CA 1.498 1.936 0 O-C-N 121.211 -0.93 . . . . 0.0 110.596 -179.348 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.501 2.089 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.9 -43.0 95.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.646 -1.284 . . . . 0.0 111.583 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.74 -41.23 75.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.795 -1.191 . . . . 0.0 111.425 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.05 -36.66 82.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.611 -1.306 . . . . 0.0 109.357 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 97.3 m -59.91 -47.53 85.41 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.417 -0.802 . . . . 0.0 110.312 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -27.35 64.66 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.5 ppp? -75.36 -45.03 41.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.985 -1.697 . . . . 0.0 109.827 -178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -71.43 -36.51 71.32 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 111.051 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.492 ' O ' ' N ' ' B' ' 13' ' ' ASN . 0.6 OUTLIER -61.06 -55.13 36.28 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.578 -1.326 . . . . 0.0 109.855 -178.724 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.442 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.9 mp -47.96 -40.14 21.4 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.246 -1.534 . . . . 0.0 108.228 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.77 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.78 -1.2 . . . . 0.0 109.391 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 10' ' ' THR . 60.5 t-20 -76.31 -55.98 5.06 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.028 -1.045 . . . . 0.0 112.0 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 2.8 p -62.3 -46.23 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 O-C-N 121.414 -0.804 . . . . 0.0 110.356 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.483 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 19.9 m-85 -59.88 -40.0 87.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.853 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -60.34 -38.44 83.8 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.956 -1.715 . . . . 0.0 109.745 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.09 -56.47 21.75 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.407 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 87.2 m-70 -82.92 -41.7 18.57 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.625 -1.297 . . . . 0.0 111.769 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -60.52 -33.69 73.0 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 10.08 57.77 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.713 -1.242 . . . . 0.0 110.965 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -122.85 -71.09 0.74 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.289 -1.124 . . . . 0.0 109.981 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 32' ' ' GLU . 70.4 mm-40 -78.11 51.04 0.95 Allowed 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.782 -1.199 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.76 -142.35 7.21 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.302 -1.428 . . . . 0.0 111.746 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.35 158.05 22.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.751 -0.852 . . . . 0.0 110.929 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -52.16 -59.9 3.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.678 -0.639 . . . . 0.0 111.018 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -114.9 25.92 10.56 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.244 -0.91 . . . . 0.0 112.019 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -140.16 146.3 38.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.685 -1.259 . . . . 0.0 108.515 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.86 165.08 12.85 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.8 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.439 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 73.1 m -131.84 162.17 31.2 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.982 -1.074 . . . . 0.0 111.125 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -47.68 -38.27 14.68 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.31 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -80.09 -27.39 39.28 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.639 -1.913 . . . . 0.0 110.34 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' B' ' 22' ' ' GLU . 51.6 mt-10 -69.12 -40.3 78.39 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.093 -1.004 . . . . 0.0 110.199 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.71 -41.13 88.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -59.97 -40.09 87.86 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.151 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 1.8 p30 -80.75 -34.04 34.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.654 -1.278 . . . . 0.0 111.377 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.418 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 30.9 tp -61.62 -51.47 68.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.696 -1.252 . . . . 0.0 109.219 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.15 -41.69 73.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.899 0.857 . . . . 0.0 111.223 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -69.53 -40.15 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.787 0.803 . . . . 0.0 111.829 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 93.6 m -59.87 -49.82 76.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.477 -0.765 . . . . 0.0 111.586 -176.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 1' ' ' GLY . 97.9 mt-10 -99.81 -17.03 17.86 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.056 -1.028 . . . . 0.0 111.732 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 88.6 mt -135.5 57.61 1.79 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.779 -1.201 . . . . 0.0 110.347 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 99.8 p -69.95 -42.38 73.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 0.0 110.177 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 38.7 t -72.31 -43.19 64.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.823 . . . . 0.0 112.069 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.542 ' O ' ' C ' ' B' ' 45' ' ' LEU . 36.6 t80 -82.82 -92.78 0.07 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.479 -1.388 . . . . 0.0 112.312 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.542 ' C ' ' O ' ' B' ' 44' ' ' PHE . 0.1 OUTLIER -31.47 136.48 0.05 Allowed 'General case' 0 N--CA 1.515 2.824 0 CA-C-O 116.889 -1.529 . . . . 0.0 107.988 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.539 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 52.6 p-10 -91.28 109.33 20.6 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 124.957 3.526 . . . . 0.0 109.936 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 m -144.92 -40.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.434 -1.416 . . . . 0.0 110.333 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -44.21 7.05 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.15 -0.969 . . . . 0.0 111.65 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.36 -19.39 65.79 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -140.09 88.14 2.2 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.87 77.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.07 -39.84 87.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.53 -41.07 80.16 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 118.871 -1.131 . . . . 0.0 109.236 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -38.39 82.41 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.499 0 O-C-N 120.865 -1.147 . . . . 0.0 109.083 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.87 -40.24 87.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.318 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -64.51 -39.95 94.72 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.97 -55.88 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.686 -0.634 . . . . 0.0 111.664 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -39.66 86.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.2 -0.938 . . . . 0.0 109.869 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -40.48 91.47 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.452 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 79.0 tt0 -65.7 -26.11 67.62 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.0 mt -88.34 -29.78 20.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.457 -0.777 . . . . 0.0 110.286 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 12.8 t0 -71.0 50.82 0.14 Allowed 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.9 mt-10 -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.29 -19.58 63.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.07 32.64 22.89 Favored Glycine 0 N--CA 1.482 1.732 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 11.8 m-20 -93.11 -123.77 0.09 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.47 22.11 0.28 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 106.984 -2.446 . . . . 0.0 106.984 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.22 175.52 9.32 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -96.35 168.59 10.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.189 -0.945 . . . . 0.0 108.666 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -31.74 69.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -74.68 -29.13 61.12 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.349 -1.47 . . . . 0.0 109.901 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 76' ' ' VAL . 93.1 mt-10 -83.55 -36.08 24.27 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 122.206 1.003 . . . . 0.0 109.441 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.86 -44.48 40.51 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 110.855 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 9.8 p -59.87 -40.1 81.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.486 -0.759 . . . . 0.0 109.931 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' B' ' 73' ' ' GLU . 11.5 m -61.71 -30.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.476 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.09 -58.06 4.24 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.322 -0.861 . . . . 0.0 111.781 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.3 m -58.71 -31.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.25 -0.906 . . . . 0.0 110.049 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.71 -40.06 69.73 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.7 0.762 . . . . 0.0 111.003 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.81 -26.77 49.79 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -176.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 pp -85.11 -40.08 17.18 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 119.874 -1.766 . . . . 0.0 110.194 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -53.82 -49.75 67.69 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.78 -1.2 . . . . 0.0 109.449 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.444 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 13.8 m -55.83 -40.31 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.286 -0.884 . . . . 0.0 109.006 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.82 -22.2 66.54 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 0.0 109.637 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 t -69.92 -39.88 75.9 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.536 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.602 ' ND2' ' N ' ' B' ' 87' ' ' ASN . 0.8 OUTLIER -66.27 -40.05 89.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.7 -1.25 . . . . 0.0 109.361 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.602 ' N ' ' ND2' ' B' ' 86' ' ' ASN . 26.4 t-20 -65.98 -37.25 85.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -88.68 -6.96 57.12 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.293 -0.88 . . . . 0.0 110.514 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -94.83 -19.9 19.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.045 . . . . 0.0 109.769 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 81.8 t90 . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.154 -0.966 . . . . 0.0 110.635 -179.325 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.473 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.1 pt . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -116.57 14.15 15.43 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.247 -0.908 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.578 ' O ' ' N ' ' X' ' 10' ' ' ILE . 41.9 t90 -60.12 -51.08 71.12 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.971 -1.081 . . . . 0.0 110.842 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.574 HD22 ' CD1' ' A' ' 81' ' ' LEU . 2.2 t30 -52.07 -32.41 34.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 119.763 -1.835 . . . . 0.0 108.111 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' X' ' 12' ' ' SER . 23.8 ttpp -61.66 -24.48 66.77 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.578 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -48.78 -38.07 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.419 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.0 tp -68.54 -39.96 80.9 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.528 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.3 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.211 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.504 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.112 0 CA-C-O 122.214 1.007 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -105.77 17.2 24.09 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.704 -1.247 . . . . 0.0 108.782 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.519 ' O ' ' CG2' ' Y' ' 10' ' ' ILE . 49.9 t90 -60.07 -49.97 75.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.548 -0.72 . . . . 0.0 110.734 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.455 ' OD1' ' CD1' ' B' ' 57' ' ' ILE . 11.9 t-20 -52.23 -37.17 54.41 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 119.918 -1.739 . . . . 0.0 108.987 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' Y' ' 12' ' ' SER . 28.1 ttmt -56.36 -24.7 45.93 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.33 -31.99 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' Y' ' 8' ' ' ASN . 0.8 OUTLIER -63.7 -40.9 97.93 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.715 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . 0.43 ' O ' ' O ' ' Y' ' 9' ' ' LYS . 54.5 p . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.36 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.531 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.79 0 N-CA-C 119.545 2.578 . . . . 0.0 119.545 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -75.24 165.4 25.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.104 -1.233 . . . . 0.0 108.963 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 39.9 mp0 -59.99 -43.04 95.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.153 -0.967 . . . . 0.0 111.177 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.94 -39.97 93.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.356 -1.465 . . . . 0.0 110.124 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 98.7 mt-10 -64.27 -33.13 75.1 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.864 -1.148 . . . . 0.0 109.438 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.91 -45.4 92.69 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.842 0.829 . . . . 0.0 109.858 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.67 -32.05 70.46 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -71.74 -49.72 36.62 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.98 -36.02 74.87 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.693 -0.63 . . . . 0.0 111.481 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.83 -54.7 34.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.787 -1.195 . . . . 0.0 110.086 -178.652 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.7 mp -47.83 -39.79 19.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.468 -1.395 . . . . 0.0 108.506 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.442 HG21 HD12 ' A' ' 12' ' ' ILE . 81.7 mt -65.8 -40.08 86.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.443 -0.786 . . . . 0.0 112.041 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.06 -49.09 12.27 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.886 -1.758 . . . . 0.0 112.731 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -61.33 -37.48 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.548 -1.345 . . . . 0.0 108.823 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 4.8 m-30 -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.12 -32.99 74.76 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.222 -0.924 . . . . 0.0 110.762 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.98 62.33 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.013 -1.055 . . . . 0.0 112.159 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -80.26 -43.35 21.51 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.065 -1.022 . . . . 0.0 111.652 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -60.03 -24.6 64.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.89 5.41 61.71 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 120.493 -1.379 . . . . 0.0 112.326 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -122.74 -61.97 1.4 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 119.335 1.567 . . . . 0.0 110.168 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.94 41.07 1.03 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.862 -1.149 . . . . 0.0 110.49 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.69 -152.99 9.3 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.387 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.02 161.88 18.74 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -54.79 -50.03 69.5 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.21 -0.931 . . . . 0.0 111.657 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 84.6 t80 -116.86 23.74 11.72 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.647 -1.283 . . . . 0.0 112.605 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -137.11 144.39 43.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.356 -1.465 . . . . 0.0 109.223 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -92.09 163.14 14.07 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.496 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.9 p -132.12 164.38 26.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.123 -0.986 . . . . 0.0 110.48 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HZ2' ' CG1' ' A' ' 54' ' ' VAL . 22.9 tptp -48.69 -39.96 26.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.353 -0.842 . . . . 0.0 111.573 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CB ' ' NZ ' ' A' ' 31' ' ' LYS . 1.7 ttpm? -78.56 -29.64 46.39 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.737 -1.852 . . . . 0.0 110.056 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' HB2' ' H ' ' A' ' 29' ' ' SER . 59.1 mt-10 -69.96 -40.03 75.65 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 111.298 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.65 -41.7 99.19 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.321 -1.487 . . . . 0.0 109.177 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -64.06 -39.96 95.22 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.14 -0.975 . . . . 0.0 112.741 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.39 -43.77 48.32 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.808 -1.182 . . . . 0.0 112.449 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.13 -48.28 80.8 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.345 -0.847 . . . . 0.0 110.689 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 3.7 mm? -70.63 -48.73 53.58 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 39' ' ' THR . 11.5 pt20 -63.93 -39.99 95.43 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.878 0.846 . . . . 0.0 112.749 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 95.8 m -56.74 -44.17 81.43 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.34 -176.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -99.49 -15.13 18.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.29 -0.881 . . . . 0.0 111.004 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 mt -135.41 43.37 2.64 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.059 -1.026 . . . . 0.0 108.866 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.489 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -60.2 -52.06 66.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.349 -0.845 . . . . 0.0 110.683 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -68.74 -37.22 79.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.389 -0.819 . . . . 0.0 111.474 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 45' ' ' LEU . 39.8 t80 -82.81 -108.81 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.678 -1.264 . . . . 0.0 111.652 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -9.96 132.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.958 0 CA-C-O 115.293 -2.289 . . . . 0.0 110.087 177.8 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.473 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 57.2 t0 -91.23 111.73 23.33 Favored 'General case' 0 N--CA 1.522 3.125 1 CA-C-N 127.404 4.638 . . . . 0.0 109.641 176.168 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.5 m -141.18 -43.43 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.697 -1.252 . . . . 0.0 110.114 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -90.78 -54.41 3.99 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.02 -1.05 . . . . 0.0 111.925 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -50.0 -60.03 3.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.816 -1.177 . . . . 0.0 108.201 -178.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -97.53 93.95 6.73 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.23 82.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 108.459 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -57.97 -35.33 71.02 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.08 94.84 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.499 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.447 ' CG1' ' HZ2' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -62.64 -32.48 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 108.562 179.387 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 56.8 t0 -67.19 -40.06 86.46 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.024 -1.048 . . . . 0.0 110.197 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.77 -39.97 79.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.235 -0.916 . . . . 0.0 109.943 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.525 ' CD1' HD21 ' X' ' 8' ' ' ASN . 97.6 mt -69.12 -57.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.672 0.749 . . . . 0.0 111.159 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER -61.86 -38.25 87.53 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.573 0.701 . . . . 0.0 110.416 -178.756 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -60.12 -46.62 89.03 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.41 -27.26 67.7 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 63' ' ' GLU . 13.3 tp -79.41 -39.96 31.14 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.892 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 88.5 m-20 -69.04 58.63 0.1 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -59.98 -40.05 87.8 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.888 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -73.53 -20.07 60.74 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.96 51.95 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -94.34 -4.9 47.74 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.364 -1.08 . . . . 0.0 112.09 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.63 8.16 75.95 Favored Glycine 0 N--CA 1.502 3.067 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -134.17 175.29 9.62 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 t -128.52 129.89 68.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.616 -1.302 . . . . 0.0 108.504 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.3 t0 -92.61 163.94 13.6 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 53.4 t80 -58.65 -33.81 70.5 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.495 -0.753 . . . . 0.0 108.975 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.4 -31.26 68.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.978 -1.076 . . . . 0.0 109.382 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -78.74 -49.35 13.21 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.978 0.895 . . . . 0.0 109.777 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.4 84.49 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.361 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.27 -35.5 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.3 -1.5 . . . . 0.0 109.363 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -34.97 58.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -58.26 9.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.619 -0.676 . . . . 0.0 112.203 -178.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 m -59.9 -39.81 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 O-C-N 121.397 -0.815 . . . . 0.0 111.091 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.93 95.14 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.159 -0.963 . . . . 0.0 110.201 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -76.51 -24.71 53.72 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.574 ' CD1' HD22 ' X' ' 8' ' ' ASN . 95.5 mt -86.33 -40.08 15.82 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 119.674 -1.891 . . . . 0.0 110.442 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.523 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 5.0 t -59.16 -40.49 85.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.712 -1.242 . . . . 0.0 109.256 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 18.7 m -60.0 -40.02 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.908 -1.12 . . . . 0.0 109.239 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.404 ' N ' HG21 ' A' ' 83' ' ' VAL . . . -60.02 -25.53 65.37 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.3 p -76.85 -40.14 48.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.123 -0.986 . . . . 0.0 109.812 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.512 ' CG ' ' HH ' ' B' ' 26' ' ' TYR . 53.7 t-20 -60.46 -40.13 90.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.0 109.205 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.89 -40.04 95.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.014 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 71.0 t80 -84.19 -1.62 55.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.545 -0.722 . . . . 0.0 109.263 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 64.5 t80 -83.19 -10.07 58.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.461 -0.775 . . . . 0.0 109.852 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.058 -1.026 . . . . 0.0 109.476 -179.41 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 39.8 mp0 -59.99 -42.87 95.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 111.296 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.1 -40.02 94.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.417 -1.427 . . . . 0.0 110.088 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.04 -33.24 75.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.926 -1.109 . . . . 0.0 109.536 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.7 m -60.0 -45.13 93.75 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.873 0.844 . . . . 0.0 109.973 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -31.87 69.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -71.69 -49.72 36.96 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.604 -1.31 . . . . 0.0 110.657 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.99 -36.4 75.14 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 121.747 -0.595 . . . . 0.0 111.493 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.5 -54.83 34.11 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 110.097 -178.723 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.7 mp -47.91 -39.5 19.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.431 -1.418 . . . . 0.0 108.609 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -65.99 -40.0 86.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.515 -0.741 . . . . 0.0 112.056 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -80.11 -49.04 12.28 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 119.931 -1.731 . . . . 0.0 112.802 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.39 -37.56 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.557 -1.339 . . . . 0.0 108.792 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.64 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 4.9 m-30 -59.91 -39.82 86.72 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.19 -32.84 74.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.176 -0.952 . . . . 0.0 110.675 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.12 -53.07 61.45 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.964 -1.085 . . . . 0.0 112.153 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -80.15 -43.51 21.51 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.079 -1.013 . . . . 0.0 111.717 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 p -59.94 -24.61 64.51 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.86 5.2 61.64 Favored Glycine 0 N--CA 1.5 2.922 0 O-C-N 120.547 -1.345 . . . . 0.0 112.27 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -122.75 -61.72 1.42 Allowed 'General case' 0 N--CA 1.505 2.302 0 CA-C-N 119.385 1.592 . . . . 0.0 110.2 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -90.06 40.73 1.02 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.83 -1.168 . . . . 0.0 110.461 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.42 -152.74 9.05 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.408 -1.377 . . . . 0.0 110.463 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -85.97 161.86 18.8 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.86 -49.99 69.76 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.225 -0.922 . . . . 0.0 111.688 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' B' ' 26' ' ' TYR . 84.2 t80 -116.67 23.35 12.06 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.618 -1.301 . . . . 0.0 112.708 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -137.07 144.21 43.03 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.286 -1.509 . . . . 0.0 109.237 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tp -91.82 163.17 14.15 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 91.1 p -132.06 164.49 26.12 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.102 -0.999 . . . . 0.0 110.524 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.547 ' HZ3' ' CG1' ' B' ' 54' ' ' VAL . 23.0 tptp -48.86 -39.97 27.78 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.326 -0.859 . . . . 0.0 111.446 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.426 ' NZ ' ' CB ' ' B' ' 31' ' ' LYS . 1.8 ttpm? -78.54 -29.55 46.48 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 119.742 -1.849 . . . . 0.0 110.105 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.473 ' HB2' ' H ' ' B' ' 29' ' ' SER . 59.1 mt-10 -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.072 -1.017 . . . . 0.0 111.222 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.71 -41.66 99.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.343 -1.473 . . . . 0.0 109.126 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.98 -40.06 95.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.159 -0.963 . . . . 0.0 112.745 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -75.43 -43.7 48.37 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.768 -1.207 . . . . 0.0 112.442 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.23 -48.19 81.08 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.313 -0.867 . . . . 0.0 110.651 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 3.7 mm? -70.83 -48.7 52.6 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.469 ' O ' ' OG ' ' B' ' 42' ' ' SER . 11.5 pt20 -63.67 -40.05 95.87 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.919 0.866 . . . . 0.0 112.775 -176.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.2 m -56.81 -44.54 82.09 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.328 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -99.13 -15.22 19.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -135.32 43.31 2.66 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.034 -1.041 . . . . 0.0 108.837 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.479 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -60.21 -52.08 66.82 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.627 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 26.3 t -69.04 -36.45 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 0.0 111.445 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.6 t80 -83.84 -94.57 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.734 -1.229 . . . . 0.0 113.141 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' B' ' 44' ' ' PHE . 0.8 OUTLIER -34.22 140.12 0.07 Allowed 'General case' 0 N--CA 1.508 2.453 0 CA-C-O 117.139 -1.41 . . . . 0.0 108.804 -174.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.9 t0 -91.26 110.99 22.29 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 124.658 3.39 . . . . 0.0 109.122 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 22.8 m -141.29 -42.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.989 -1.069 . . . . 0.0 109.807 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -91.09 -54.62 3.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.163 -0.961 . . . . 0.0 111.968 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -49.93 -60.02 3.32 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.77 -1.206 . . . . 0.0 108.318 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.51 93.88 6.7 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.24 81.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 0.0 108.412 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -57.8 -35.76 71.27 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.94 95.22 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.279 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.547 ' CG1' ' HZ3' ' B' ' 30' ' ' LYS . 0.5 OUTLIER -61.27 -32.7 53.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.957 -1.089 . . . . 0.0 108.723 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 56.7 t0 -67.02 -40.0 87.15 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.015 -1.053 . . . . 0.0 110.164 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.66 -39.88 80.46 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.96 0.886 . . . . 0.0 110.017 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.455 ' CD1' ' OD1' ' Y' ' 8' ' ' ASN . 96.6 mt -69.35 -56.95 9.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 CA-C-O 121.677 0.751 . . . . 0.0 111.23 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.7 OUTLIER -61.84 -38.39 88.01 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.566 0.698 . . . . 0.0 110.431 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -59.92 -46.77 88.31 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -67.34 -24.64 65.74 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' B' ' 63' ' ' GLU . 13.5 tp -81.62 -39.79 23.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.635 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 58' ' ' MET . 88.3 m-20 -69.11 58.6 0.1 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -60.0 -40.07 87.95 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.851 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -73.6 -20.06 60.71 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.91 52.06 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -94.3 -4.97 47.74 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.319 -1.107 . . . . 0.0 112.005 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.6 8.36 76.27 Favored Glycine 0 N--CA 1.501 2.984 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.28 175.3 9.63 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.29 129.92 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.576 -1.328 . . . . 0.0 108.499 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.3 t0 -92.57 163.92 13.62 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 53.3 t80 -58.65 -33.84 70.54 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.26 -31.4 68.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.956 -1.09 . . . . 0.0 109.38 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.73 -49.35 13.23 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 122.025 0.916 . . . . 0.0 109.798 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.64 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.53 83.9 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.346 -178.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.32 -35.15 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.327 -1.483 . . . . 0.0 109.404 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.96 -35.07 58.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 119.057 -1.057 . . . . 0.0 108.171 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -58.32 9.05 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 121.473 0.654 . . . . 0.0 112.144 -178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.99 -39.8 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.495 -0.753 . . . . 0.0 111.055 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.98 95.09 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.104 -0.998 . . . . 0.0 110.239 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.43 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -76.4 -24.51 54.07 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' Y' ' 8' ' ' ASN . 94.2 mt -86.55 -39.98 15.67 Favored 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.58 -1.95 . . . . 0.0 110.509 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.527 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 4.9 t -59.13 -40.65 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.779 -1.201 . . . . 0.0 109.201 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 18.7 m -59.97 -39.96 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.979 -1.076 . . . . 0.0 109.244 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.406 ' N ' HG21 ' B' ' 83' ' ' VAL . . . -60.08 -25.64 65.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.4 p -76.75 -40.09 49.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.16 -0.963 . . . . 0.0 109.971 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.484 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 54.3 t-20 -60.44 -40.2 90.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.73 -39.96 95.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.32 -0.862 . . . . 0.0 109.004 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 71.0 t80 -84.2 -1.52 55.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.549 -0.719 . . . . 0.0 109.326 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 64.8 t80 -83.35 -10.02 58.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.379 -0.826 . . . . 0.0 109.793 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 109.388 -179.46 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.442 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 1.3 pt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -121.85 32.03 6.01 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.433 ' O ' ' CG2' ' X' ' 10' ' ' ILE . 55.0 t90 -59.95 -49.98 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.63 -0.669 . . . . 0.0 111.732 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.509 ' OD1' ' CD1' ' A' ' 57' ' ' ILE . 34.2 t-20 -54.9 -33.49 62.12 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.304 -1.497 . . . . 0.0 109.035 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . 0.407 ' O ' ' OXT' ' X' ' 12' ' ' SER . 82.1 tttt -59.89 -27.08 66.41 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' X' ' 7' ' ' TRP . 3.0 tt -54.44 -34.45 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.428 ' N ' HG23 ' X' ' 10' ' ' ILE . 0.3 OUTLIER -60.03 -49.94 75.68 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' X' X ' 12' ' ' SER . . . . . 0.407 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 53.6 p . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.9 -1.047 . . . . 0.0 109.702 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.468 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 2.5 pt . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 95.7 m-20 -114.62 27.31 9.54 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.063 -1.023 . . . . 0.0 110.351 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.474 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 41.7 t90 -60.31 -55.13 37.38 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.015 -1.053 . . . . 0.0 112.868 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.502 ' OD1' ' CD1' ' B' ' 57' ' ' ILE . 35.1 t-20 -52.13 -35.74 49.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 119.866 -1.771 . . . . 0.0 109.198 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -59.9 -24.72 64.52 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -53.32 -38.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.1 tp -68.9 -40.07 79.36 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.505 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.488 -179.546 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.636 2.614 . . . . 0.0 119.636 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -103.16 34.6 2.84 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.417 -1.049 . . . . 0.0 109.536 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.23 -40.09 94.97 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.338 -0.851 . . . . 0.0 111.775 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -43.32 99.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.142 -1.599 . . . . 0.0 109.606 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.97 -34.18 76.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.026 -1.047 . . . . 0.0 109.615 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.8 -45.72 91.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.37 -0.831 . . . . 0.0 110.104 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.33 66.13 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.764 -0.585 . . . . 0.0 111.837 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 ttt -71.55 -48.83 46.08 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.468 -1.395 . . . . 0.0 110.28 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.07 -33.39 71.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.552 -0.718 . . . . 0.0 111.266 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.22 -55.79 14.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 118.477 -1.289 . . . . 0.0 109.926 -178.721 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -45.56 -38.13 6.14 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.447 -1.408 . . . . 0.0 108.597 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.71 -39.97 83.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.372 -0.83 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.32 -43.01 64.78 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.467 -1.396 . . . . 0.0 112.797 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 15' ' ' PHE . 11.0 p -71.01 -39.82 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.647 -1.283 . . . . 0.0 109.95 -178.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.643 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.3 m-30 -60.13 -40.52 90.08 Favored 'General case' 0 C--N 1.291 -1.943 0 O-C-N 121.826 -0.546 . . . . 0.0 110.155 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.479 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 2.8 p-80 -73.28 -24.23 60.4 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.152 -1.593 . . . . 0.0 110.433 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.57 -53.7 54.99 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.983 -1.073 . . . . 0.0 110.925 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -83.31 -41.27 18.46 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.234 -0.916 . . . . 0.0 111.077 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ASP . 9.7 t -56.83 -28.4 61.53 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.252 -0.905 . . . . 0.0 112.792 -178.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.4 9.56 71.75 Favored Glycine 0 N--CA 1.497 2.764 0 O-C-N 120.513 -1.367 . . . . 0.0 111.138 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -124.24 -62.94 1.24 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 118.873 1.337 . . . . 0.0 109.84 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 34.1 mp0 -88.82 18.52 4.71 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.788 -1.195 . . . . 0.0 110.621 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.563 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -152.02 -155.31 6.97 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 19' ' ' SER . 92.9 m-20 -86.78 168.56 13.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -1.187 . . . . 0.0 108.455 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -57.59 -49.33 76.75 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.349 -0.845 . . . . 0.0 112.012 -177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -118.55 24.75 10.72 Favored 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.514 -1.367 . . . . 0.0 111.499 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -140.01 146.91 39.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.857 -1.152 . . . . 0.0 108.698 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -94.24 164.27 13.11 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.124 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.407 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.9 m -129.46 158.69 38.5 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.401 -0.812 . . . . 0.0 109.801 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -48.01 -40.1 21.69 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -75.12 -23.71 57.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 119.579 -1.95 . . . . 0.0 109.809 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.563 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 81.5 mt-10 -76.3 -42.74 44.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 111.527 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 3.5 pp -59.86 -47.11 87.08 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 118.408 -1.317 . . . . 0.0 109.2 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 80.0 tttt -61.12 -40.04 92.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.755 -0.591 . . . . 0.0 111.505 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 39' ' ' THR . 89.8 m-20 -66.33 -42.56 88.02 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.919 -1.113 . . . . 0.0 113.966 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.2 mt -70.02 -40.04 75.44 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 119.381 -2.074 . . . . 0.0 110.597 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -64.52 -51.83 60.89 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.453 0.644 . . . . 0.0 112.496 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.676 HE21 ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -66.02 -37.27 85.45 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.854 0.835 . . . . 0.0 111.887 -178.277 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.441 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 93.0 m -54.85 -45.88 74.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.856 -0.527 . . . . 0.0 111.232 -175.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -100.53 -12.53 19.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.135 -0.978 . . . . 0.0 111.617 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.93 47.49 2.35 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.988 -1.07 . . . . 0.0 109.421 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 57.8 m -60.16 -48.55 81.27 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 110.529 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.8 p -69.96 -39.74 75.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.356 -0.84 . . . . 0.0 111.786 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -84.61 -106.77 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.838 -1.164 . . . . 0.0 111.952 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -8.88 125.9 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.066 0 CA-C-O 114.79 -2.528 . . . . 0.0 109.322 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 49.1 t0 -90.44 109.23 20.36 Favored 'General case' 0 N--CA 1.521 3.113 1 CA-C-N 128.068 4.94 . . . . 0.0 110.183 178.109 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -143.45 -46.39 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 120.764 -1.21 . . . . 0.0 110.391 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.676 ' NE2' HE21 ' A' ' 38' ' ' GLN . 88.5 mt-30 -77.5 -47.23 20.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.821 -1.174 . . . . 0.0 111.494 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 1.1 mmtt -57.54 -57.54 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.71 89.56 4.98 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.08 65.38 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.03 -37.9 81.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 118.871 -1.132 . . . . 0.0 109.684 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -35.23 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.555 -1.34 . . . . 0.0 108.331 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.55 -40.02 94.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.97 -1.081 . . . . 0.0 110.489 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.59 -40.08 88.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.044 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.509 ' CD1' ' OD1' ' X' ' 8' ' ' ASN . 4.6 mm -69.9 -53.78 22.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.682 0.753 . . . . 0.0 110.753 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 tpt -60.87 -39.84 90.7 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.05 0.453 . . . . 0.0 111.271 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -45.58 93.66 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.53 -28.92 66.43 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 63' ' ' GLU . 14.2 tp -74.21 -41.7 60.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.682 -0.636 . . . . 0.0 110.046 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 61.76 0.21 Allowed 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 61' ' ' LEU . 99.9 mt-10 -60.05 -40.0 87.88 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.75 -19.2 61.42 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.98 35.57 49.52 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -96.52 -4.62 41.07 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.397 -1.061 . . . . 0.0 111.846 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.01 9.66 76.43 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -134.63 175.8 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -129.69 131.01 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 120.26 -1.525 . . . . 0.0 110.649 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.67 162.07 13.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.34 -39.67 70.31 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.139 -0.975 . . . . 0.0 109.145 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -65.61 -28.61 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.74 -1.85 . . . . 0.0 109.546 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -83.16 -49.98 8.92 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.813 0.816 . . . . 0.0 109.862 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 1.3 t80 -60.1 -49.05 79.18 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.633 0.73 . . . . 0.0 111.414 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.99 -36.88 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 110.833 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.81 -29.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.151 -0.968 . . . . 0.0 108.415 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -59.4 3.31 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 121.702 0.763 . . . . 0.0 112.486 -177.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.1 m -61.62 -37.25 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 CA-C-O 121.695 0.759 . . . . 0.0 110.745 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.75 -41.19 88.21 Favored 'General case' 0 C--N 1.287 -2.147 0 O-C-N 121.713 -0.617 . . . . 0.0 111.631 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.6 -25.28 53.74 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 113.031 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 mt -78.64 -53.23 7.4 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 119.753 -1.842 . . . . 0.0 109.939 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 t -45.55 -53.22 9.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.278 -0.889 . . . . 0.0 110.697 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m -52.46 -41.17 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.979 -1.076 . . . . 0.0 109.521 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.52 -25.12 65.87 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 t -71.43 -41.72 69.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.65 -39.97 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.376 -0.828 . . . . 0.0 109.656 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.458 -0.776 . . . . 0.0 110.232 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.57 -0.32 57.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.946 -1.096 . . . . 0.0 109.604 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -83.56 -13.91 53.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 108.824 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . 0.449 ' CD2' ' O ' ' A' ' 90' ' ' TRP . 90.5 t90 . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 110.253 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 121.35 0.595 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.14 95.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.835 . . . . 0.0 111.65 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.115 -1.616 . . . . 0.0 109.637 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.86 -34.47 77.43 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -59.6 -45.72 91.06 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.674 0.749 . . . . 0.0 110.188 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.63 -27.8 65.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.789 -0.569 . . . . 0.0 111.871 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ttt -72.14 -48.75 41.34 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.524 -1.36 . . . . 0.0 110.261 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.99 -33.43 72.03 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.626 -0.671 . . . . 0.0 111.237 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -66.17 -55.85 14.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.448 -1.301 . . . . 0.0 109.987 -178.722 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.465 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.1 mp -45.45 -37.97 5.66 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.469 -1.394 . . . . 0.0 108.597 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.92 -39.77 82.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.345 -0.847 . . . . 0.0 110.702 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.47 -43.26 63.96 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.517 -1.364 . . . . 0.0 112.72 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.41 HG11 ' H ' ' B' ' 15' ' ' PHE . 12.2 p -70.74 -39.97 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.821 -1.174 . . . . 0.0 109.93 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.641 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 5.4 m-30 -60.03 -40.36 89.09 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.722 -0.612 . . . . 0.0 110.225 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' B' ' 16' ' ' HIS . 3.0 p-80 -73.49 -24.02 60.13 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.018 -1.676 . . . . 0.0 110.498 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -53.99 51.79 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.966 -1.084 . . . . 0.0 110.884 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -83.21 -41.43 18.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.165 -0.96 . . . . 0.0 111.029 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 24' ' ' ASP . 9.3 t -56.59 -28.62 60.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.276 -0.89 . . . . 0.0 112.856 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.21 9.39 72.31 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.416 -1.428 . . . . 0.0 111.236 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -124.23 -62.8 1.25 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 118.809 1.304 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' B' ' 22' ' ' GLU . 35.3 mp0 -89.07 18.93 4.51 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.746 -1.221 . . . . 0.0 110.606 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.562 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -152.09 -155.49 7.06 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' B' ' 19' ' ' SER . 92.6 m-20 -86.85 168.77 13.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -1.145 . . . . 0.0 108.442 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -57.73 -49.38 76.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.263 -0.898 . . . . 0.0 111.983 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.33 24.12 11.14 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.588 -1.32 . . . . 0.0 111.486 -177.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -139.54 146.63 40.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 108.739 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -93.8 164.35 13.16 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.049 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.407 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.3 m -129.45 158.32 39.54 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.41 -0.806 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -48.24 -39.82 22.56 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.909 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -74.97 -23.88 58.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 119.604 -1.935 . . . . 0.0 109.732 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.562 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 81.5 mt-10 -76.45 -42.66 43.1 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.544 -0.722 . . . . 0.0 111.464 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 3.4 pp -59.75 -47.26 86.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.466 -1.396 . . . . 0.0 109.123 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.43 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 80.4 tttt -61.06 -40.07 92.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.731 -0.606 . . . . 0.0 111.558 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -66.26 -42.5 88.43 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 mt -70.01 -39.98 75.52 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 119.308 -2.12 . . . . 0.0 110.774 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.52 -51.89 60.58 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.518 0.675 . . . . 0.0 112.492 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.674 HE21 ' NE2' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -66.04 -37.12 85.06 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.889 0.852 . . . . 0.0 111.88 -178.204 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.443 ' OG1' ' OE1' ' B' ' 38' ' ' GLN . 94.3 m -55.0 -46.01 75.12 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.737 -0.602 . . . . 0.0 111.295 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -100.43 -12.33 19.46 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.17 -0.956 . . . . 0.0 111.603 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 mt -134.93 47.28 2.37 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.94 -1.1 . . . . 0.0 109.359 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.526 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 67.7 m -60.17 -48.45 81.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 110.438 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -69.96 -39.52 75.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 111.844 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.521 ' O ' ' C ' ' B' ' 45' ' ' LEU . 35.1 t80 -85.19 -92.57 0.09 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.796 -1.19 . . . . 0.0 113.399 -177.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.521 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -32.92 133.06 0.13 Allowed 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 116.826 -1.559 . . . . 0.0 108.176 -174.51 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 49.3 t0 -90.22 108.22 19.62 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 125.088 3.585 . . . . 0.0 110.129 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.2 m -143.47 -45.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.13 -0.981 . . . . 0.0 110.088 178.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.674 ' NE2' HE21 ' B' ' 38' ' ' GLN . 88.3 mt-30 -77.82 -47.38 19.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.665 -1.272 . . . . 0.0 111.441 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.2 mmtt -57.55 -57.67 11.69 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD2' ' OD1' ' Y' ' 6' ' ' ASP . 98.1 m-20 -96.53 89.57 5.05 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.01 65.2 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.01 -38.24 82.07 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.99 89.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.409 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -35.42 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.496 -1.377 . . . . 0.0 108.424 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.5 -39.96 94.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.969 -1.082 . . . . 0.0 110.432 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -66.84 -40.06 87.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.075 -1.016 . . . . 0.0 110.004 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.502 ' CD1' ' OD1' ' Y' ' 8' ' ' ASN . 4.9 mm -69.77 -53.5 23.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 121.668 0.747 . . . . 0.0 110.819 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.98 -39.85 91.19 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.053 0.454 . . . . 0.0 111.306 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -45.81 92.48 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.0 -26.55 64.13 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 63' ' ' GLU . 14.4 tp -76.05 -41.74 49.77 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.165 0.507 . . . . 0.0 109.76 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.09 61.74 0.2 Allowed 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.8 mt-10 -59.97 -39.98 87.52 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.98 -19.24 61.26 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 35.52 49.49 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.331 -1.908 . . . . 0.0 108.331 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -96.5 -4.9 40.65 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.507 -0.996 . . . . 0.0 111.822 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.03 9.94 77.01 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.78 176.02 9.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.88 131.2 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.357 0 O-C-N 120.249 -1.532 . . . . 0.0 110.649 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -94.73 161.81 14.03 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -39.57 70.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.044 -1.035 . . . . 0.0 109.135 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.86 -28.49 69.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 119.736 -1.853 . . . . 0.0 109.573 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -83.32 -49.9 8.91 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.788 0.804 . . . . 0.0 109.763 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.641 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.3 t80 -59.95 -49.0 79.41 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.5 -0.75 . . . . 0.0 111.447 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.99 -37.16 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 110.802 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -29.66 34.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.13 -59.5 3.19 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.787 0.803 . . . . 0.0 112.485 -177.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.0 m -61.73 -37.18 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.661 0.743 . . . . 0.0 110.721 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.86 -41.39 87.4 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 121.681 -0.637 . . . . 0.0 111.471 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.16 54.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.853 -1.155 . . . . 0.0 113.02 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.93 -53.29 7.21 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.666 -1.896 . . . . 0.0 109.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.1 t -45.41 -53.24 8.97 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.391 -0.818 . . . . 0.0 110.629 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -52.48 -41.28 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.03 . . . . 0.0 109.641 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.3 -25.24 65.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.21 -41.65 69.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.339 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.8 -40.01 91.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 0.0 109.613 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.395 -0.815 . . . . 0.0 110.264 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.5 -0.43 57.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.979 -1.076 . . . . 0.0 109.573 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -83.52 -13.76 53.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 108.933 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' CD2' ' B' ' 90' ' ' TRP . 90.4 t90 . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.465 -0.772 . . . . 0.0 110.246 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -128.63 10.93 6.16 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.149 -0.97 . . . . 0.0 109.463 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.626 ' CZ2' ' CZ ' ' A' ' 44' ' ' PHE . 4.6 p-90 -60.03 -40.71 90.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.092 -1.005 . . . . 0.0 110.413 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.502 ' C ' HD21 ' X' ' 8' ' ' ASN . 0.4 OUTLIER -53.05 -39.04 62.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.345 -2.097 . . . . 0.0 108.578 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -55.69 -23.05 26.44 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' X' ' 7' ' ' TRP . 10.6 tt -51.71 -38.09 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.454 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 58.8 tp -64.31 -40.24 95.53 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.204 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.579 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.639 ' CG2' ' H ' ' Y' ' 6' ' ' ASP . 12.2 tt . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 120.344 0.116 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . 0.639 ' H ' ' CG2' ' Y' ' 5' ' ' ILE . 4.3 p-10 42.24 16.86 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.1 -1.0 . . . . 0.0 110.252 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.63 ' CZ3' ' CZ ' ' B' ' 44' ' ' PHE . 25.7 t90 -60.34 -50.42 73.68 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.043 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.521 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -53.69 -31.16 46.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 119.909 -1.745 . . . . 0.0 109.141 -178.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -57.41 -24.84 57.93 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 4.2 tt -54.98 -37.5 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.427 ' N ' HG21 ' Y' ' 10' ' ' ILE . 54.5 tp -62.73 -41.89 99.39 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.649 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.824 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.803 0 N-CA-C 119.57 2.588 . . . . 0.0 119.57 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -77.91 158.08 29.53 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -1.162 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -41.29 -56.13 2.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.451 -0.781 . . . . 0.0 111.133 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.12 -41.25 77.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.851 -1.156 . . . . 0.0 110.282 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 -35.03 74.78 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.934 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 92.4 m -58.91 -50.04 75.54 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.781 -0.574 . . . . 0.0 109.881 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.27 67.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.675 -0.64 . . . . 0.0 112.349 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -70.23 -45.57 66.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.278 -1.514 . . . . 0.0 109.912 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.93 61.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.474 -0.766 . . . . 0.0 110.619 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -67.48 -57.83 5.83 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.481 -178.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 7.5 mp -50.95 -29.67 12.83 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.313 -1.492 . . . . 0.0 108.847 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.62 -39.44 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.277 -0.889 . . . . 0.0 109.804 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -70.42 -56.08 7.5 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.003 -1.061 . . . . 0.0 112.863 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 8.3 p -61.36 -50.02 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.43 -0.794 . . . . 0.0 111.922 -177.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 1.7 t80 -60.07 -40.16 88.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.155 -0.965 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.92 -40.0 87.36 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.497 -1.377 . . . . 0.0 110.034 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -80.1 -45.17 18.7 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.604 -1.31 . . . . 0.0 111.457 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 24' ' ' ASP . 8.3 t -60.05 -28.01 67.42 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -177.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.41 4.91 77.35 Favored Glycine 0 N--CA 1.497 2.715 0 O-C-N 120.444 -1.41 . . . . 0.0 110.73 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.94 -61.4 1.24 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.429 -1.042 . . . . 0.0 110.312 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 54.7 mp0 -81.11 10.21 5.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 110.653 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -150.58 -146.44 4.33 Favored Glycine 0 N--CA 1.499 2.866 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.822 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.444 ' O ' ' O ' ' A' ' 19' ' ' SER . 29.0 t0 -88.28 165.39 15.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.613 -0.934 . . . . 0.0 108.69 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.419 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 68.5 mmtt -55.45 -50.63 69.35 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.155 -0.966 . . . . 0.0 111.278 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -120.82 25.0 9.95 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 120.772 -1.205 . . . . 0.0 111.847 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -137.96 147.34 44.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.667 -1.27 . . . . 0.0 109.359 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tp -98.04 163.78 12.62 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.262 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 48.0 t -130.46 160.72 33.24 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.44 -43.72 11.63 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.327 -0.858 . . . . 0.0 112.255 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.68 -25.81 60.42 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 119.7 -1.875 . . . . 0.0 110.136 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.526 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 68.2 mt-10 -77.72 -43.5 30.82 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.037 -1.039 . . . . 0.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 4.4 pp -56.04 -43.51 77.91 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.343 -1.473 . . . . 0.0 107.696 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.488 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 76.4 tttt -60.08 -39.82 87.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 -178.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.5 -40.02 92.55 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.46 -0.775 . . . . 0.0 111.557 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.54 -51.39 68.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.634 -1.291 . . . . 0.0 111.129 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.86 -41.04 75.38 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' THR . 1.7 pp0? -73.58 -39.93 64.28 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.088 -1.007 . . . . 0.0 112.898 -176.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 93.8 m -59.85 -46.62 88.7 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.974 -0.69 . . . . 0.0 111.201 -175.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.11 -16.22 17.13 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.309 -0.869 . . . . 0.0 112.457 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.1 mt -132.98 49.01 2.35 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.772 -1.205 . . . . 0.0 109.497 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.559 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 23.2 t -60.77 -49.8 76.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 110.335 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -64.91 -40.2 94.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.339 -0.851 . . . . 0.0 111.962 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.669 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.4 t80 -90.77 -101.36 0.1 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.761 -1.212 . . . . 0.0 111.989 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.669 ' O ' ' O ' ' A' ' 44' ' ' PHE . 2.0 mm? -8.5 137.43 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.357 0 CA-C-O 115.763 -2.065 . . . . 0.0 109.253 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.08 116.08 27.1 Favored 'General case' 0 N--CA 1.515 2.824 1 CA-C-N 126.9 4.409 . . . . 0.0 109.772 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ASP . 89.6 t -145.67 -87.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.794 -1.191 . . . . 0.0 110.436 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -60.6 -40.42 91.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.997 -1.064 . . . . 0.0 111.154 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 14.1 mtmm -60.87 -24.36 65.87 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' VAL . 31.7 t70 -145.19 90.22 2.02 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -30.1 64.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.03 -39.58 86.38 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.86 87.52 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.128 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -37.65 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.438 -1.414 . . . . 0.0 109.742 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.69 -40.01 80.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 0.0 110.889 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -64.78 -39.9 94.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.161 -0.962 . . . . 0.0 109.393 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CG1' HD22 ' X' ' 8' ' ' ASN . 68.8 mt -65.82 -52.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 CA-C-O 121.916 0.865 . . . . 0.0 110.699 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.466 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.74 -36.17 78.22 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.699 -0.626 . . . . 0.0 110.286 -179.353 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -59.92 -43.28 95.0 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.08 -25.16 67.54 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.0 mt -93.28 -22.97 18.67 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.503 -0.748 . . . . 0.0 110.176 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.466 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 60.6 m-20 -76.55 45.23 0.39 Allowed 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' A' ' 61' ' ' LEU . 96.2 mt-10 -60.03 -41.68 92.77 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.024 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 65' ' ' GLY . 38.8 p30 -75.54 -21.03 58.29 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 76.93 37.65 32.73 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 108.131 -1.987 . . . . 0.0 108.131 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.506 ' CG ' HD22 ' A' ' 64' ' ' ASN . 34.5 p-10 -96.81 -8.74 30.32 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.404 -1.056 . . . . 0.0 111.405 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.72 10.21 86.38 Favored Glycine 0 N--CA 1.501 3.011 0 O-C-N 120.872 -1.143 . . . . 0.0 110.405 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -133.63 175.09 9.74 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.763 -1.434 . . . . 0.0 107.92 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.1 128.21 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.721 -1.237 . . . . 0.0 108.442 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -93.68 164.37 13.18 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -56.66 -32.18 65.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.059 -1.026 . . . . 0.0 109.293 -179.018 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.35 -26.87 62.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.826 -1.171 . . . . 0.0 109.604 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 61' ' ' LEU . 59.2 mt-10 -84.27 -46.98 11.25 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.138 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -67.4 -42.58 83.06 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.313 -0.867 . . . . 0.0 110.954 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.8 -37.98 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.41 60.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.934 -1.104 . . . . 0.0 108.853 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 tm? -70.46 -51.4 29.47 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.44 -0.787 . . . . 0.0 112.729 -178.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.76 -35.39 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 O-C-N 120.641 -1.287 . . . . 0.0 109.283 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.83 86.64 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-O 121.692 0.758 . . . . 0.0 110.439 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.289 -0.882 . . . . 0.0 112.597 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.53 -44.73 23.6 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.108 -1.62 . . . . 0.0 109.983 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.51 -49.64 67.12 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.175 -0.953 . . . . 0.0 109.849 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -59.92 -41.78 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.086 -1.009 . . . . 0.0 110.299 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.44 -23.6 65.96 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.41 -0.806 . . . . 0.0 109.077 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.39 -47.51 41.47 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.184 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.59 -43.1 97.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 110.154 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -64.9 -40.19 94.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.41 -0.806 . . . . 0.0 110.73 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 63.9 t80 -88.2 -4.33 58.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.254 -0.904 . . . . 0.0 110.248 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -88.46 -23.76 23.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.099 -1.001 . . . . 0.0 109.539 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.696 -179.573 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 15.2 t . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 77.7 mm-40 -41.21 -56.14 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.401 -0.812 . . . . 0.0 111.228 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.1 mt -69.28 -40.93 77.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.277 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.21 -35.73 76.09 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.839 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 10' ' ' THR . 93.8 m -58.4 -50.1 74.88 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.764 -0.585 . . . . 0.0 109.922 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.96 67.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.61 -0.681 . . . . 0.0 112.432 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.8 mtp -70.69 -45.27 65.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.393 -1.442 . . . . 0.0 110.039 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.92 61.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.578 -0.701 . . . . 0.0 110.543 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.2 OUTLIER -67.63 -57.69 5.97 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 121.068 -1.02 . . . . 0.0 108.599 -178.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 7.3 mp -51.02 -29.71 13.27 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.343 -1.473 . . . . 0.0 108.878 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mm -69.7 -38.95 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.27 -0.894 . . . . 0.0 109.748 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.77 -56.14 7.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.046 -1.034 . . . . 0.0 112.865 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 7.3 p -61.34 -50.09 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.5 -0.75 . . . . 0.0 111.825 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 1.7 t80 -60.07 -39.93 87.76 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.009 -1.057 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.17 -39.8 87.7 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.459 -1.4 . . . . 0.0 109.877 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.76 64.27 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -80.34 -45.14 18.3 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.623 -1.298 . . . . 0.0 111.473 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 24' ' ' ASP . 8.4 t -59.97 -28.26 67.53 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.111 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.19 4.57 77.67 Favored Glycine 0 N--CA 1.497 2.73 0 O-C-N 120.436 -1.415 . . . . 0.0 110.822 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -125.71 -61.41 1.25 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.365 -1.079 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 54.6 mp0 -81.05 10.1 5.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.889 -1.132 . . . . 0.0 110.688 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -150.28 -146.27 4.29 Favored Glycine 0 N--CA 1.498 2.784 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 19' ' ' SER . 28.8 t0 -88.51 165.39 14.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.711 -0.876 . . . . 0.0 108.745 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 68.1 mmtt -55.61 -50.6 69.71 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.192 -0.942 . . . . 0.0 111.249 -177.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -120.67 24.72 10.14 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.764 -1.21 . . . . 0.0 111.832 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -137.75 146.88 44.19 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.523 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -97.43 164.03 12.62 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.32 -177.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' B' ' 30' ' ' LYS . 47.3 t -130.67 160.76 33.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.447 -0.783 . . . . 0.0 109.417 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.457 ' N ' ' HG ' ' B' ' 29' ' ' SER . 1.1 tmtm? -45.42 -43.56 11.39 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.23 -0.919 . . . . 0.0 112.208 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -73.83 -25.92 60.33 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 119.637 -1.914 . . . . 0.0 110.114 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.526 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 68.2 mt-10 -77.6 -43.64 30.94 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.032 -1.042 . . . . 0.0 111.815 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 4.4 pp -55.99 -43.26 77.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.377 -1.452 . . . . 0.0 107.807 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 77.4 tttt -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.44 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.43 -40.09 92.87 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.466 -0.771 . . . . 0.0 111.576 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.57 -51.04 70.2 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.583 -1.323 . . . . 0.0 111.192 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.02 -41.18 74.63 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' B' ' 39' ' ' THR . 1.7 pp0? -73.45 -39.91 64.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 112.979 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.488 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.8 m -60.12 -46.8 88.42 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.07 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.95 -16.31 17.22 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.194 -0.941 . . . . 0.0 112.311 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 88.1 mt -132.28 48.92 2.37 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.791 -1.193 . . . . 0.0 109.65 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.544 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 22.2 t -61.02 -49.76 76.1 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.323 -0.861 . . . . 0.0 110.281 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -65.05 -40.12 94.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 111.815 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 15.2 t80 -91.83 -87.61 0.21 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.853 -1.155 . . . . 0.0 113.424 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.557 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.7 mm? -31.42 144.28 0.01 OUTLIER 'General case' 0 N--CA 1.519 3.016 0 CA-C-O 117.367 -1.301 . . . . 0.0 108.084 -174.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' Y' ' 8' ' ' ASN . 6.3 m-20 -89.21 115.09 26.46 Favored 'General case' 0 N--CA 1.505 2.275 0 CA-C-N 124.381 3.264 . . . . 0.0 109.332 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -145.47 -86.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.043 -1.036 . . . . 0.0 110.135 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.84 -39.91 90.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.082 -1.011 . . . . 0.0 111.227 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.7 mtmm -60.98 -24.82 66.4 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -144.94 90.05 2.02 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.73 -30.05 63.13 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.09 -39.82 87.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 177.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.47 87.99 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.9 -1.12 . . . . 0.0 110.139 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -37.78 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.409 -1.432 . . . . 0.0 109.747 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.71 -40.02 80.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 110.863 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.76 -39.94 94.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.096 -1.003 . . . . 0.0 109.347 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.66 -52.08 54.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-O 121.915 0.864 . . . . 0.0 110.679 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.467 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -60.66 -36.25 78.24 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.895 -0.503 . . . . 0.0 110.284 -179.255 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.01 -43.02 95.52 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.74 -23.18 67.06 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.549 ' C ' ' H ' ' B' ' 63' ' ' GLU . 25.4 mt -94.96 -23.03 17.58 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.536 -0.727 . . . . 0.0 110.146 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.467 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 60.8 m-20 -76.7 45.06 0.39 Allowed 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.549 ' H ' ' C ' ' B' ' 61' ' ' LEU . 96.0 mt-10 -60.07 -41.59 92.75 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.885 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' B' ' 65' ' ' GLY . 39.0 p30 -75.47 -20.84 58.55 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 76.91 37.5 33.25 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 108.101 -2.0 . . . . 0.0 108.101 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.512 ' CG ' HD22 ' B' ' 64' ' ' ASN . 34.8 p-10 -96.84 -9.01 29.57 Favored 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.44 -1.035 . . . . 0.0 111.491 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.8 10.61 86.12 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.72 175.25 9.62 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.823 -1.398 . . . . 0.0 107.683 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -129.16 128.26 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.787 -1.195 . . . . 0.0 108.327 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -93.89 164.04 13.27 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.445 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -56.14 -32.35 64.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.121 -0.987 . . . . 0.0 109.482 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.18 -26.93 62.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.772 -1.205 . . . . 0.0 109.746 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' B' ' 61' ' ' LEU . 59.3 mt-10 -84.39 -46.42 11.73 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.801 0.81 . . . . 0.0 110.255 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -67.68 -42.87 81.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.849 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.51 -37.92 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.477 -0.764 . . . . 0.0 110.642 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -35.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.962 -1.086 . . . . 0.0 108.879 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.451 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.4 tm? -70.45 -51.51 28.73 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.523 -0.735 . . . . 0.0 112.841 -178.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -59.75 -34.82 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.531 -1.356 . . . . 0.0 109.261 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.5 -41.04 85.14 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.801 0.81 . . . . 0.0 110.42 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -25.9 60.57 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.327 -0.858 . . . . 0.0 112.531 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.62 -44.87 22.88 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.163 -1.586 . . . . 0.0 109.884 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -49.6 66.37 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.063 -1.023 . . . . 0.0 109.737 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 15.1 m -60.01 -41.42 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.167 -0.958 . . . . 0.0 110.123 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.93 -23.93 65.64 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.505 -0.747 . . . . 0.0 109.185 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.61 -48.13 34.94 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.51 -0.744 . . . . 0.0 110.098 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -59.99 -43.41 95.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.211 -0.931 . . . . 0.0 110.166 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.02 -39.95 94.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.325 -0.86 . . . . 0.0 110.75 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 65.2 t80 -88.51 -3.72 58.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.088 -1.007 . . . . 0.0 110.249 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -88.89 -24.12 22.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.09 -1.006 . . . . 0.0 109.449 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 0.0 109.586 -179.594 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.441 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 4.6 pt . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.619 0.723 . . . . 0.0 109.103 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -122.31 21.57 10.3 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.516 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 43.0 t90 -58.86 -49.8 76.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.974 -178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.855 ' ND2' ' H ' ' A' ' 46' ' ' ASP . 13.3 m-20 -51.4 -34.87 36.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.162 -1.587 . . . . 0.0 108.432 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -55.05 -26.1 35.23 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.7 tt -53.42 -33.91 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' X' ' 11' ' ' LEU . 3.1 tm? -64.15 -46.19 85.15 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.819 179.435 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 10.5 pt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.795 0.807 . . . . 0.0 108.945 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 87.2 m-20 -113.06 22.35 14.45 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.39 -0.819 . . . . 0.0 110.282 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.535 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 31.3 t90 -57.95 -48.71 79.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.143 -0.973 . . . . 0.0 110.997 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.583 ' N ' ' OD2' ' B' ' 46' ' ' ASP . 0.1 OUTLIER -49.37 -38.69 29.39 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.151 -1.593 . . . . 0.0 108.525 179.703 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.578 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 15.6 ttpp -57.3 -24.35 54.46 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 14.0 tt -54.7 -37.87 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.41 ' N ' HG21 ' Y' ' 10' ' ' ILE . 45.0 tp -66.38 -40.1 89.47 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.614 178.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.535 5.261 0 N-CA-C 119.332 2.493 . . . . 0.0 119.332 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.41 ' OG ' ' CD ' ' B' ' 40' ' ' GLU . 46.9 t -80.77 159.95 25.03 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.454 . . . . 0.0 109.069 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 37.2 mp0 -52.19 -46.22 65.47 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.36 -0.838 . . . . 0.0 110.188 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.7 mt -70.3 -40.13 74.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.312 -0.868 . . . . 0.0 110.277 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.52 -27.93 67.39 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.099 -1.001 . . . . 0.0 108.937 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.3 m -59.35 -45.0 92.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.917 . . . . 0.0 109.726 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.84 70.76 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.1 ttt -69.6 -50.84 40.65 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.184 -1.572 . . . . 0.0 110.328 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.68 -32.69 70.03 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.77 -0.582 . . . . 0.0 112.095 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.68 -53.41 34.0 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.42 -178.342 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.1 mp -50.65 -39.86 51.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.62 -1.3 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.439 HG22 HD12 ' A' ' 12' ' ' ILE . 79.1 mt -66.53 -38.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.38 -0.825 . . . . 0.0 111.527 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -79.6 -42.0 25.9 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.997 -1.689 . . . . 0.0 112.486 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 8.8 p -59.79 -39.4 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 120.5 -1.375 . . . . 0.0 108.483 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.44 ' O ' ' OG ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -60.41 -38.89 85.45 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -62.83 -36.24 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.444 -1.41 . . . . 0.0 110.364 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -57.4 13.21 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.172 -0.955 . . . . 0.0 113.499 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -84.72 -40.19 17.62 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.758 -1.214 . . . . 0.0 111.804 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 60.2 p -56.74 -29.96 63.06 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.279 -0.888 . . . . 0.0 112.672 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.16 16.49 59.21 Favored Glycine 0 N--CA 1.503 3.162 0 O-C-N 120.577 -1.327 . . . . 0.0 111.445 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -125.74 -64.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.246 -1.15 . . . . 0.0 109.492 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.509 ' OE1' ' CE ' ' A' ' 31' ' ' LYS . 98.6 mt-10 -91.31 18.53 6.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.358 -0.839 . . . . 0.0 111.668 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -154.28 -156.08 7.52 Favored Glycine 0 N--CA 1.497 2.743 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.363 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 35.8 t0 -79.84 157.71 26.94 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 67.8 mttm -57.53 -50.15 74.03 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.066 -1.021 . . . . 0.0 112.176 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.443 ' OH ' ' O ' ' B' ' 86' ' ' ASN . 9.0 t80 -109.01 21.46 17.17 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 120.274 -1.516 . . . . 0.0 110.926 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -141.32 148.07 39.15 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 122.485 1.136 . . . . 0.0 110.178 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 6.6 tp -92.51 166.27 12.61 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.873 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.9 t -131.23 163.14 28.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.31 -0.869 . . . . 0.0 110.321 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -50.27 -39.61 45.65 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.981 -1.088 . . . . 0.0 112.015 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.509 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 9.5 ttpp -75.96 -29.89 58.45 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 119.756 -1.84 . . . . 0.0 109.977 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.564 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 83.4 mt-10 -71.47 -40.5 70.24 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.962 -1.086 . . . . 0.0 111.69 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.14 -39.57 90.56 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.382 -1.449 . . . . 0.0 108.003 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 38' ' ' GLN . 12.0 tptm -60.75 -39.38 88.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.72 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -73.96 -51.72 15.1 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.91 -41.12 95.5 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 119.861 -1.774 . . . . 0.0 109.747 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -70.11 -37.94 75.48 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 122.231 1.015 . . . . 0.0 110.019 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.484 ' NE2' ' CD ' ' A' ' 48' ' ' GLN . 45.5 tt0 -75.93 -39.75 55.53 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.537 0.684 . . . . 0.0 111.34 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.552 -0.717 . . . . 0.0 112.292 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 62.1 mm-40 -101.1 -24.06 14.36 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.926 -1.109 . . . . 0.0 111.779 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.2 mt -118.2 32.8 5.95 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.49 ' OG ' ' N ' ' A' ' 43' ' ' SER . 0.1 OUTLIER -51.85 -62.53 1.57 Allowed 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.818 0.818 . . . . 0.0 109.93 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' OG ' ' A' ' 42' ' ' SER . 58.4 m -70.38 -23.51 62.79 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.625 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.4 t80 -82.57 -104.75 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.14 -1.6 . . . . 0.0 110.257 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.625 ' O ' ' O ' ' A' ' 44' ' ' PHE . 4.3 mp -16.34 151.23 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.364 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.461 173.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.855 ' H ' ' ND2' ' X' ' 8' ' ' ASN . 0.2 OUTLIER -89.93 95.34 10.18 Favored 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 123.83 3.014 . . . . 0.0 107.738 174.326 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.82 -69.74 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 O-C-N 121.051 -1.03 . . . . 0.0 109.298 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.484 ' CD ' ' NE2' ' A' ' 38' ' ' GLN . 21.1 mm100 -68.75 -45.05 72.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.928 -1.107 . . . . 0.0 112.082 -177.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.49 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.58 -51.21 70.37 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 98.2 m-20 -101.38 94.78 6.1 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.56 78.3 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.31 -39.5 83.27 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.51 -36.4 64.18 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 118.568 -1.253 . . . . 0.0 108.651 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -39.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.218 -1.551 . . . . 0.0 108.118 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.22 -40.29 86.39 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.414 -0.804 . . . . 0.0 112.395 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.26 -40.0 86.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.336 -1.478 . . . . 0.0 109.281 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -68.26 -49.88 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-O 121.516 0.674 . . . . 0.0 110.461 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -59.89 -42.17 93.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.392 -0.817 . . . . 0.0 110.615 -179.373 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.51 94.21 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -59.54 -26.86 65.7 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' A' ' 63' ' ' GLU . 23.8 mt -94.24 -18.13 21.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.864 -0.522 . . . . 0.0 110.485 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 58' ' ' MET . 99.8 m-20 -75.58 43.7 0.25 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 61' ' ' LEU . 47.7 mt-10 -61.12 -42.98 99.51 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.092 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -76.47 -14.84 60.02 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.8 31.39 70.17 Favored Glycine 0 N--CA 1.484 1.839 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -92.05 -9.71 41.78 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.843 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.85 14.93 70.96 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.05 176.73 8.45 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' LEU . 2.4 t -134.38 124.15 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 38.0 p-10 -103.43 -22.36 13.66 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.229 -1.544 . . . . 0.0 111.319 -177.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER 159.81 -80.92 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.449 -0.782 . . . . 0.0 110.352 178.519 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.426 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 7.3 tt0 -38.09 -23.94 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 CA-C-O 121.772 0.796 . . . . 0.0 110.051 -177.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 71' ' ' PHE . 92.6 mt-10 -82.97 -46.84 12.41 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.813 -1.179 . . . . 0.0 109.482 179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 71' ' ' PHE . 46.8 t80 -66.09 -55.4 16.7 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.539 -0.726 . . . . 0.0 112.441 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.88 -31.32 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.279 -0.888 . . . . 0.0 110.013 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 72' ' ' GLN . 43.5 t -63.37 -37.81 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.358 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 tm? -70.41 -57.86 4.36 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.331 -0.856 . . . . 0.0 112.183 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 79' ' ' ALA . 14.9 m -60.1 -40.15 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.117 -0.989 . . . . 0.0 109.31 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.444 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -59.4 -43.25 93.02 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-O 121.833 0.825 . . . . 0.0 109.583 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.7 59.89 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.1 mp -83.18 -46.52 12.62 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 119.601 -1.937 . . . . 0.0 110.233 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.535 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 6.1 t -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.954 -1.092 . . . . 0.0 110.675 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.447 HG22 ' N ' ' A' ' 84' ' ' ALA . 17.1 m -59.66 -42.06 87.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 O-C-N 120.181 -1.574 . . . . 0.0 108.875 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.447 ' N ' HG22 ' A' ' 83' ' ' VAL . . . -63.43 -25.46 68.28 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.2 p -75.05 -37.27 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.213 -0.929 . . . . 0.0 109.042 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.415 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 28.4 t-20 -60.24 -40.43 90.2 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.79 -39.87 86.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -91.69 0.1 57.52 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.223 -0.923 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 64.6 t80 -83.2 -9.56 59.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.452 -0.78 . . . . 0.0 109.292 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.545 -0.722 . . . . 0.0 109.65 -179.343 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' SER . . . . . 0.54 ' HG ' ' N ' ' B' ' 3' ' ' GLU . 44.9 t . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.372 0.606 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.54 ' N ' ' HG ' ' B' ' 2' ' ' SER . 40.2 mp0 -51.27 -47.04 62.6 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.87 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.07 -39.6 75.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.435 -0.79 . . . . 0.0 110.351 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.9 -27.43 66.63 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.878 -1.139 . . . . 0.0 109.007 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 90.3 m -59.4 -45.55 91.19 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.87 0.843 . . . . 0.0 109.426 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.98 68.97 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ttt -70.04 -50.07 44.96 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 110.38 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.36 -34.51 70.54 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.524 -0.735 . . . . 0.0 111.916 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -64.58 -53.81 41.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.413 -1.43 . . . . 0.0 109.5 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.3 mp -50.48 -40.3 50.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.51 -1.369 . . . . 0.0 109.22 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.231 -0.918 . . . . 0.0 111.635 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -78.45 -42.23 30.5 Favored 'General case' 0 N--CA 1.512 2.63 0 O-C-N 120.025 -1.672 . . . . 0.0 112.764 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 8.5 p -59.55 -40.15 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.459 -1.401 . . . . 0.0 108.102 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.433 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 0.2 OUTLIER -59.91 -38.8 83.34 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -63.56 -35.9 82.03 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.501 -1.374 . . . . 0.0 110.049 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -57.1 14.55 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.138 -0.977 . . . . 0.0 113.284 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -84.57 -40.24 17.79 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.919 -1.113 . . . . 0.0 112.025 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 59.6 p -57.26 -29.31 63.73 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.458 -0.776 . . . . 0.0 113.012 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.13 14.15 62.75 Favored Glycine 0 N--CA 1.5 2.921 0 O-C-N 120.68 -1.263 . . . . 0.0 111.157 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -125.41 -63.7 1.12 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.334 -1.097 . . . . 0.0 109.972 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.498 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 99.5 mt-10 -91.63 18.52 7.37 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.322 -0.861 . . . . 0.0 111.615 -177.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.566 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -153.81 -156.77 7.79 Favored Glycine 0 N--CA 1.495 2.619 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.552 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 38.6 t0 -78.88 158.13 28.15 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 67.0 mttm -57.8 -50.56 72.86 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 119.091 -1.044 . . . . 0.0 112.135 -177.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.413 ' OH ' ' OD1' ' A' ' 86' ' ' ASN . 9.2 t80 -109.0 21.43 17.22 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 120.267 -1.521 . . . . 0.0 111.133 -178.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -140.64 147.71 39.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.878 -1.139 . . . . 0.0 110.084 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.416 ' CB ' ' O ' ' B' ' 69' ' ' VAL . 5.9 tp -91.31 166.98 12.63 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.937 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.426 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 28.7 t -132.04 163.53 28.23 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -50.76 -38.51 48.26 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 118.87 -1.132 . . . . 0.0 112.325 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.498 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 9.7 ttpp -76.98 -30.31 55.91 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 119.754 -1.841 . . . . 0.0 109.546 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.566 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 83.2 mt-10 -70.64 -41.59 71.99 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.79 -39.98 86.76 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.151 -1.593 . . . . 0.0 108.221 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' B' ' 38' ' ' GLN . 11.3 tptm -60.69 -38.9 86.49 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.03 -51.58 15.42 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 46.3 mt -61.57 -41.47 97.44 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 119.946 -1.721 . . . . 0.0 109.687 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.66 -36.65 76.23 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 122.013 0.911 . . . . 0.0 109.763 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . 41.6 tt0 -76.7 -39.89 50.55 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.806 0.812 . . . . 0.0 111.417 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.72 -0.613 . . . . 0.0 112.159 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 55.2 mm-40 -101.28 -24.98 14.14 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.765 -1.209 . . . . 0.0 111.417 -177.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.0 mt -115.81 30.22 7.48 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -49.92 -62.55 1.5 Allowed 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.62 0.724 . . . . 0.0 110.137 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.498 ' C ' ' HZ1' ' B' ' 49' ' ' LYS . 63.0 m -71.12 -23.15 62.03 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.826 -0.546 . . . . 0.0 112.372 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 4.0 t80 -83.1 -91.76 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.273 -1.517 . . . . 0.0 112.623 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.438 ' N ' ' CG ' ' B' ' 44' ' ' PHE . 2.4 mp -39.07 158.98 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -177.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER -89.5 94.94 10.06 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 122.329 2.331 . . . . 0.0 107.826 177.283 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.38 -68.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.706 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.495 ' CD ' ' NE2' ' B' ' 38' ' ' GLN . 19.9 mm100 -68.99 -43.53 74.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.058 -1.026 . . . . 0.0 112.052 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.498 ' HZ1' ' C ' ' B' ' 43' ' ' SER . 0.0 OUTLIER -62.02 -51.68 67.03 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.246 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 95.3 m-20 -101.28 94.82 6.14 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.82 79.58 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.87 -39.85 86.66 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.05 61.74 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.516 -1.274 . . . . 0.0 108.621 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -39.78 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.181 -1.574 . . . . 0.0 107.522 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -66.06 -41.43 90.79 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -66.6 -39.76 88.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.174 -1.579 . . . . 0.0 109.257 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 44.0 mt -68.44 -49.13 68.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-O 121.475 0.655 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.438 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -60.81 -40.44 92.72 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.709 -0.62 . . . . 0.0 110.802 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -45.43 92.67 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.89 -25.31 64.99 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.546 ' C ' ' H ' ' B' ' 63' ' ' GLU . 19.2 mt -94.96 -19.41 20.25 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.85 -0.531 . . . . 0.0 110.278 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.438 ' OD1' ' SD ' ' B' ' 58' ' ' MET . 98.7 m-20 -74.78 43.23 0.19 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.382 -1.449 . . . . 0.0 107.742 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.546 ' H ' ' C ' ' B' ' 61' ' ' LEU . 47.1 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.397 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -75.74 -15.51 60.27 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.98 30.49 67.8 Favored Glycine 0 N--CA 1.482 1.702 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 30.8 p-10 -91.5 -9.45 44.37 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.285 -1.126 . . . . 0.0 111.004 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.43 16.4 71.48 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -140.11 175.44 9.59 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.416 ' O ' ' CB ' ' B' ' 28' ' ' LEU . 2.5 t -132.54 124.56 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 39.2 p-10 -103.33 -23.31 13.59 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.311 -1.493 . . . . 0.0 111.109 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.2 OUTLIER 160.61 -80.48 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.41 -0.806 . . . . 0.0 110.661 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.441 ' O ' ' CG2' ' B' ' 76' ' ' VAL . 7.4 tt0 -38.85 -23.73 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 121.584 0.707 . . . . 0.0 109.973 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' B' ' 71' ' ' PHE . 91.2 mt-10 -82.66 -45.07 14.96 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.864 -1.148 . . . . 0.0 109.685 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 71' ' ' PHE . 48.4 t80 -67.85 -54.8 16.11 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.729 -0.607 . . . . 0.0 112.573 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -31.1 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 109.703 -177.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 72' ' ' GLN . 54.7 t -62.85 -39.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 120.9 -1.125 . . . . 0.0 109.512 177.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.3 tm? -69.69 -57.75 4.76 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.923 -1.111 . . . . 0.0 112.284 -177.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' B' ' 79' ' ' ALA . 19.7 m -60.36 -40.2 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.727 -1.233 . . . . 0.0 109.268 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -59.74 -40.04 86.73 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.701 0.763 . . . . 0.0 110.146 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.54 -23.44 53.63 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.372 -0.83 . . . . 0.0 113.006 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.45 -46.11 12.88 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 119.451 -2.031 . . . . 0.0 110.063 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.506 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 6.0 t -55.26 -42.02 72.97 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.243 -0.911 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.427 HG21 ' N ' ' B' ' 84' ' ' ALA . 18.5 m -59.53 -40.65 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.502 -1.374 . . . . 0.0 108.755 177.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.427 ' N ' HG21 ' B' ' 83' ' ' VAL . . . -65.13 -25.43 67.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.0 OUTLIER -75.36 -36.97 60.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.443 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 28.4 t-20 -60.06 -40.21 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 109.902 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -90.93 0.25 57.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.141 -0.974 . . . . 0.0 109.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 62.6 t80 -83.66 -9.92 58.55 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.28 -0.887 . . . . 0.0 109.207 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.102 -0.999 . . . . 0.0 109.678 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . 0.429 ' O ' ' OD1' ' X' ' 6' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.181 0 CA-C-O 121.982 0.896 . . . . 0.0 111.075 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 53.8 m-20 -159.66 13.53 0.14 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.576 ' CZ3' ' CZ ' ' A' ' 44' ' ' PHE . 38.6 t90 -59.99 -50.1 75.08 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.443 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 7.0 t-20 -53.02 -33.75 53.16 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 119.732 -1.855 . . . . 0.0 108.682 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -63.27 -25.69 68.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' X' ' 7' ' ' TRP . 8.9 tt -50.36 -36.44 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.415 ' N ' HG21 ' X' ' 10' ' ' ILE . 41.3 tp -69.96 -39.95 75.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.498 179.77 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 tt . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -146.11 9.06 1.1 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.601 ' CZ3' ' CZ ' ' B' ' 44' ' ' PHE . 48.4 t90 -59.99 -49.61 76.98 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.312 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.534 ' ND2' ' CD1' ' B' ' 57' ' ' ILE . 0.2 OUTLIER -51.33 -38.54 53.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 119.717 -1.865 . . . . 0.0 108.463 -179.156 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.408 ' O ' ' OXT' ' Y' ' 12' ' ' SER . 0.6 OUTLIER -60.25 -23.4 64.06 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.541 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 13.2 tt -50.46 -39.75 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.8 tp -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . 0.408 ' OXT' ' O ' ' Y' ' 9' ' ' LYS . 1.4 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.342 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.824 0 N-CA-C 119.716 2.646 . . . . 0.0 119.716 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -86.1 35.32 0.64 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.32 -1.106 . . . . 0.0 108.884 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.16 -40.38 89.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.693 -1.255 . . . . 0.0 108.887 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -36.54 77.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.981 . . . . 0.0 109.062 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.495 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.3 m -53.56 -46.1 70.13 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.47 -0.769 . . . . 0.0 110.437 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.53 72.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.8 -0.563 . . . . 0.0 112.509 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.3 ttt -69.02 -50.0 52.64 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.787 -1.196 . . . . 0.0 110.757 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.49 -29.45 68.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.697 -0.627 . . . . 0.0 110.306 -176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.2 -56.96 13.5 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.392 -179.673 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -50.09 -39.97 44.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.059 -1.651 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.439 HD13 HG23 ' A' ' 12' ' ' ILE . 60.8 mt -66.92 -25.61 34.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.112 -0.992 . . . . 0.0 109.778 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.74 -53.4 7.57 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.181 -0.949 . . . . 0.0 112.152 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 15' ' ' PHE . 22.9 m -65.09 -48.49 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 110.926 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.466 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 4.6 t80 -60.0 -41.72 92.69 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.149 -0.969 . . . . 0.0 109.559 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.0 -40.04 92.02 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.313 -1.492 . . . . 0.0 109.386 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -55.88 28.43 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 92.2 m-70 -82.6 -41.29 19.7 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.904 -1.123 . . . . 0.0 111.879 -177.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 20.3 m -52.66 -28.42 21.52 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.333 -0.855 . . . . 0.0 112.161 -178.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.92 11.43 49.09 Favored Glycine 0 N--CA 1.504 3.196 0 O-C-N 120.739 -1.226 . . . . 0.0 111.244 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.569 ' C ' ' H ' ' A' ' 23' ' ' GLY . 95.0 mttt -127.01 -74.38 0.59 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.031 -1.276 . . . . 0.0 109.269 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' OE1' ' OD2' ' A' ' 35' ' ' ASP . 98.9 mt-10 -64.91 15.16 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 110.402 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -171.15 176.45 44.48 Favored Glycine 0 N--CA 1.484 1.842 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 23' ' ' GLY . 95.5 m-20 -36.84 163.14 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.037 0.922 . . . . 0.0 110.941 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.12 -50.11 65.14 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.563 -0.711 . . . . 0.0 111.733 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -131.6 39.3 3.51 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.828 -1.17 . . . . 0.0 111.861 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -137.35 143.08 41.84 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.753 -1.217 . . . . 0.0 109.57 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -96.62 102.37 14.15 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 122.298 1.046 . . . . 0.0 108.513 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLU . 78.6 p -72.48 157.02 38.41 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 120.744 -1.223 . . . . 0.0 108.531 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -46.97 -32.04 3.6 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.141 178.078 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -75.12 -34.95 61.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 108.447 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 14.0 mm-40 -61.58 -39.98 93.09 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.02 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 122.078 0.942 . . . . 0.0 109.801 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -51.84 -45.55 64.04 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.348 -176.135 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.464 ' O ' ' OG1' ' A' ' 39' ' ' THR . 76.8 m-20 -72.61 -26.92 61.86 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.366 -0.834 . . . . 0.0 111.287 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -69.03 -56.46 7.68 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.177 -1.577 . . . . 0.0 109.914 -178.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.426 ' H ' HD22 ' A' ' 37' ' ' LEU . 1.2 mm? -69.33 -40.08 77.79 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.811 0.815 . . . . 0.0 110.705 -178.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 9.0 tt0 -69.71 -40.36 76.34 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.6 0.714 . . . . 0.0 112.917 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.9 m -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 112.271 -175.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 44.3 mp0 -100.21 -17.62 17.27 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.95 -1.094 . . . . 0.0 111.741 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -131.54 50.05 2.27 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 120.942 -1.099 . . . . 0.0 110.208 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 41.1 t -63.36 -48.77 76.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.05 -1.031 . . . . 0.0 110.296 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 m -68.35 -40.44 81.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.54 -0.725 . . . . 0.0 112.457 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.585 ' O ' ' C ' ' A' ' 45' ' ' LEU . 22.2 t80 -86.52 -105.68 0.06 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.477 -1.389 . . . . 0.0 111.741 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 44' ' ' PHE . 1.9 mp -9.08 130.44 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.131 0 CA-C-O 115.201 -2.333 . . . . 0.0 109.288 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.477 ' OD2' ' OD2' ' A' ' 50' ' ' ASP . 15.0 t0 -90.17 110.47 21.5 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-N 127.491 4.678 . . . . 0.0 109.551 177.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 6.5 m -144.82 -40.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.643 -1.285 . . . . 0.0 110.814 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.403 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 6.4 tm0? -93.47 -34.22 13.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.091 -1.006 . . . . 0.0 111.889 -177.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 23.3 mtmm -69.25 -26.8 64.96 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.967 -1.083 . . . . 0.0 109.561 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 p-10 -140.22 87.91 2.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.994 -1.066 . . . . 0.0 108.231 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.56 -25.21 3.86 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.01 -40.02 87.81 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.91 -39.83 86.75 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.094 -1.043 . . . . 0.0 108.713 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.98 61.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.114 -0.991 . . . . 0.0 109.312 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.97 -40.03 75.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.216 . . . . 0.0 110.983 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.82 -40.06 76.11 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.3 mt -66.94 -56.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.718 0.771 . . . . 0.0 110.337 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.407 ' SD ' ' CG ' ' A' ' 30' ' ' LYS . 4.2 ttt -59.99 -33.99 72.71 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.709 -0.619 . . . . 0.0 109.889 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -60.05 -41.18 91.76 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.99 -26.41 66.79 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.555 ' C ' ' H ' ' A' ' 63' ' ' GLU . 25.6 mt -86.61 -30.75 21.57 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.464 -0.773 . . . . 0.0 109.418 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.42 47.61 0.23 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 61' ' ' LEU . 94.6 mt-10 -59.94 -40.75 90.03 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.643 -0.823 . . . . 0.0 108.979 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -74.13 -24.7 59.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.09 17.21 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 38.0 p-10 -96.14 -10.54 27.98 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.491 -1.005 . . . . 0.0 112.071 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.64 -2.06 87.23 Favored Glycine 0 N--CA 1.505 3.271 0 O-C-N 120.872 -1.143 . . . . 0.0 111.206 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 24.0 mp0 -141.98 173.6 11.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.363 -1.669 . . . . 0.0 108.411 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.14 129.96 72.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 71' ' ' PHE . 32.7 p-10 -105.88 -13.49 15.49 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.859 -1.151 . . . . 0.0 112.772 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER 152.88 -86.99 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.948 0 CA-C-N 118.826 0.739 . . . . 0.0 110.923 176.724 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 71' ' ' PHE . 57.4 tt0 -37.1 -24.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 110.525 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 71' ' ' PHE . 96.9 mt-10 -82.5 -49.09 10.29 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 71' ' ' PHE . 72.8 t80 -63.15 -49.96 72.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.739 -0.601 . . . . 0.0 112.047 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -35.84 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.02 -1.05 . . . . 0.0 109.113 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.98 -39.98 81.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.2 tm? -65.97 -52.46 49.41 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.173 -0.955 . . . . 0.0 111.956 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.0 -39.2 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.898 -1.126 . . . . 0.0 109.011 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.88 84.02 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 122.348 1.07 . . . . 0.0 110.971 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.88 -24.73 60.89 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.01 -49.09 11.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.574 -1.954 . . . . 0.0 109.924 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t -49.29 -47.19 47.11 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.02 . . . . 0.0 110.443 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 84' ' ' ALA . 22.4 m -60.06 -41.06 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.992 -1.067 . . . . 0.0 109.987 178.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' N ' HG21 ' A' ' 83' ' ' VAL . . . -62.8 -23.81 67.43 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.484 -0.76 . . . . 0.0 109.47 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.33 -48.4 34.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.434 -0.791 . . . . 0.0 110.299 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -61.59 -41.76 97.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 109.743 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 49.3 t-20 -62.13 -40.07 94.71 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . 0.442 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 65.2 t80 -82.48 -10.75 58.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.98 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.55 -34.09 35.7 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.258 -0.901 . . . . 0.0 108.599 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 . . . . . 0 C--N 1.304 -1.38 0 O-C-N 121.606 -0.684 . . . . 0.0 110.577 -179.082 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.492 1.675 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.12 -39.92 87.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 110.142 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.17 -40.3 89.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.765 -1.21 . . . . 0.0 108.947 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -36.62 77.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.054 -1.029 . . . . 0.0 108.997 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.511 ' O ' ' OG1' ' B' ' 10' ' ' THR . 22.3 m -53.4 -46.45 69.7 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.526 -0.734 . . . . 0.0 110.459 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -31.88 73.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.0 ttt -69.18 -50.05 51.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.85 -1.156 . . . . 0.0 110.747 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.4 -29.72 68.47 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.704 -0.622 . . . . 0.0 110.304 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -61.85 -57.23 12.62 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.371 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -49.85 -40.08 41.16 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.097 -1.627 . . . . 0.0 109.435 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.96 -25.48 34.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.112 -0.993 . . . . 0.0 109.84 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.22 -0.925 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 15' ' ' PHE . 21.6 m -64.92 -48.42 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.644 -0.66 . . . . 0.0 110.933 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.462 ' N ' ' CG2' ' B' ' 14' ' ' VAL . 4.9 t80 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.186 -0.946 . . . . 0.0 109.584 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.13 -39.97 92.05 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.357 -1.464 . . . . 0.0 109.38 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.03 -56.03 26.69 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 91.9 m-70 -82.42 -41.65 19.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.893 -1.13 . . . . 0.0 111.813 -177.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.8 m -52.54 -28.24 19.95 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.399 -0.813 . . . . 0.0 112.151 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.07 11.27 48.48 Favored Glycine 0 N--CA 1.503 3.101 0 O-C-N 120.769 -1.207 . . . . 0.0 111.381 -178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' B' ' 23' ' ' GLY . 95.0 mttt -126.87 -74.28 0.6 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.012 -1.287 . . . . 0.0 109.271 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.94 15.14 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.364 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -171.21 176.76 44.43 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 119.121 -1.514 . . . . 0.0 110.818 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 23' ' ' GLY . 95.1 m-20 -37.0 163.13 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.026 0.917 . . . . 0.0 110.981 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -53.09 -50.11 65.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.518 -0.739 . . . . 0.0 111.74 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.47 38.68 3.58 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.822 -1.173 . . . . 0.0 111.871 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -137.02 142.9 42.49 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.666 -1.271 . . . . 0.0 109.61 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -96.41 102.37 14.15 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.353 1.073 . . . . 0.0 108.589 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 32' ' ' GLU . 78.7 p -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.289 -2.031 0 O-C-N 120.702 -1.249 . . . . 0.0 108.558 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.406 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 0.1 OUTLIER -46.92 -32.0 3.52 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.233 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -75.17 -34.9 61.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.431 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 13.8 mm-40 -61.62 -39.95 93.12 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.09 -49.03 79.27 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.955 0.883 . . . . 0.0 109.685 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' B' ' 38' ' ' GLN . 0.2 OUTLIER -51.9 -45.69 64.3 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.286 -176.074 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.459 ' O ' ' OG1' ' B' ' 39' ' ' THR . 76.9 m-20 -72.44 -26.88 62.0 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.308 -0.87 . . . . 0.0 111.364 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.426 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -69.18 -56.4 7.75 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.186 -1.571 . . . . 0.0 109.935 -178.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.441 ' H ' HD23 ' B' ' 37' ' ' LEU . 1.3 mm? -69.55 -39.97 77.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.795 0.807 . . . . 0.0 110.632 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 9.4 tt0 -69.84 -40.23 75.95 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 97.8 m -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 0.0 112.311 -175.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 44.6 mp0 -100.06 -17.76 17.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.03 -1.044 . . . . 0.0 111.657 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 mt -131.39 49.92 2.28 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.96 -1.088 . . . . 0.0 110.172 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.449 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 42.4 t -63.13 -49.08 75.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.111 -0.993 . . . . 0.0 110.296 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.4 m -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.56 -0.712 . . . . 0.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.601 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.5 t80 -87.61 -91.95 0.11 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.641 -1.287 . . . . 0.0 113.171 -177.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.4 mp -32.33 137.53 0.06 Allowed 'General case' 0 N--CA 1.515 2.788 0 CA-C-O 116.899 -1.524 . . . . 0.0 108.19 -174.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.481 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 17.0 t0 -90.23 110.02 21.08 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-N 124.999 3.545 . . . . 0.0 109.054 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.413 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 10.0 m -145.04 -40.85 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.972 -1.08 . . . . 0.0 110.497 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.413 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 6.6 tm0? -93.37 -34.48 13.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 111.938 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 23.4 mtmm -68.92 -27.09 65.45 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.954 -1.091 . . . . 0.0 109.558 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 15.6 p-10 -140.4 87.82 2.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.041 -1.037 . . . . 0.0 108.268 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -24.99 3.52 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.05 -40.41 89.33 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.352 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -33.91 59.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.135 -0.978 . . . . 0.0 109.499 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -70.05 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.738 -1.226 . . . . 0.0 110.891 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -69.95 -40.1 75.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.187 -0.946 . . . . 0.0 109.956 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.534 ' CD1' ' ND2' ' Y' ' 8' ' ' ASN . 57.2 mt -66.84 -56.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.653 0.74 . . . . 0.0 110.224 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.406 ' SD ' ' CG ' ' B' ' 30' ' ' LYS . 4.3 ttt -59.96 -34.01 72.7 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.663 -0.648 . . . . 0.0 109.916 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -60.02 -41.27 91.82 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -24.09 65.24 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.555 ' C ' ' H ' ' B' ' 63' ' ' GLU . 23.9 mt -88.45 -30.76 19.19 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.505 -0.747 . . . . 0.0 109.117 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -73.54 47.55 0.24 Allowed 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' B' ' 61' ' ' LEU . 94.5 mt-10 -59.97 -40.68 89.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.611 -0.835 . . . . 0.0 108.884 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.19 -24.71 59.4 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.96 39.07 17.57 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 107.866 -2.094 . . . . 0.0 107.866 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 38.4 p-10 -96.02 -10.77 27.69 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.472 -1.017 . . . . 0.0 112.083 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.6 -1.74 87.21 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 120.87 -1.144 . . . . 0.0 111.231 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 24.1 mp0 -142.13 173.63 11.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.476 -1.603 . . . . 0.0 108.299 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -125.96 130.01 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 33.9 p-10 -105.69 -13.89 15.43 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.823 -1.173 . . . . 0.0 112.749 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.1 OUTLIER 153.15 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.946 0 CA-C-N 118.83 0.741 . . . . 0.0 110.915 176.819 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' B' ' 71' ' ' PHE . 57.0 tt0 -37.23 -24.49 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' B' ' 71' ' ' PHE . 97.0 mt-10 -82.71 -49.17 10.05 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' B' ' 71' ' ' PHE . 72.5 t80 -62.85 -50.02 72.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.653 -0.654 . . . . 0.0 112.059 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -35.75 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.142 -179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.02 -39.91 81.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.441 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.461 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.3 tm? -66.08 -52.37 49.51 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.152 -0.967 . . . . 0.0 112.015 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.06 -39.09 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.834 -1.166 . . . . 0.0 108.904 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.74 84.59 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.398 1.094 . . . . 0.0 111.042 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.11 -24.66 60.66 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.17 -48.77 11.66 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 119.592 -1.942 . . . . 0.0 109.993 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t -49.63 -47.2 49.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 110.39 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.409 HG21 ' N ' ' B' ' 84' ' ' ALA . 24.9 m -60.04 -41.17 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.059 -1.026 . . . . 0.0 110.129 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.409 ' N ' HG21 ' B' ' 83' ' ' VAL . . . -62.54 -23.89 67.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.53 -0.732 . . . . 0.0 109.41 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.44 -48.14 36.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.391 -0.818 . . . . 0.0 110.331 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.65 -41.77 97.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.102 -0.999 . . . . 0.0 109.819 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 48.9 t-20 -62.12 -39.95 94.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 110.361 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . 0.436 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 65.1 t80 -82.49 -11.17 58.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.862 . . . . 0.0 109.979 -178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.73 -34.64 39.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.257 -0.902 . . . . 0.0 108.686 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 . . . . . 0 C--N 1.305 -1.367 0 O-C-N 121.624 -0.673 . . . . 0.0 110.572 -178.901 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 pt . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -124.66 9.31 8.31 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.88 0.848 . . . . 0.0 109.436 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 7' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' X' ' 8' ' ' ASN . 4.8 p-90 -60.03 -48.56 81.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.207 -0.933 . . . . 0.0 110.291 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 8' ' ' ASN . . . . . 0.62 ' N ' ' CG ' ' X' ' 7' ' ' TRP . 3.7 p30 -46.31 -39.76 10.66 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.423 -1.423 . . . . 0.0 109.967 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -59.18 -24.06 62.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' X' X ' 10' ' ' ILE . . . . . 0.606 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.1 tt -49.73 -36.22 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 11' ' ' LEU . . . . . 0.43 ' CD2' ' C ' ' X' ' 11' ' ' LEU . 7.5 tt -67.95 -43.28 79.42 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.5 179.69 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 pt . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -128.42 12.43 6.46 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.209 -0.932 . . . . 0.0 109.3 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' Y' Y ' 7' ' ' TRP . . . . . 0.605 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 5.3 p-90 -60.05 -47.33 86.29 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.024 0.916 . . . . 0.0 109.207 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Y' Y ' 8' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 3.5 p30 -48.26 -38.29 18.34 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.391 -1.443 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Y' Y ' 9' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' Y' ' 12' ' ' SER . 25.1 ttpt -59.84 -23.27 63.24 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Y' Y ' 10' ' ' ILE . . . . . 0.605 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 8.2 tt -49.96 -34.54 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' Y' Y ' 11' ' ' LEU . . . . . 0.427 ' N ' HG23 ' Y' ' 10' ' ' ILE . 0.0 OUTLIER -69.95 -40.01 75.72 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.518 179.378 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 36.0 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.465 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.517 2.567 . . . . 0.0 119.517 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -89.87 20.44 4.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.866 -1.373 . . . . 0.0 109.788 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 32.8 mp0 -59.96 -40.06 87.72 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.162 -0.961 . . . . 0.0 110.278 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.94 -43.69 98.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.452 -1.405 . . . . 0.0 109.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.02 -36.92 78.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.506 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.1 m -55.67 -50.24 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.652 0.739 . . . . 0.0 110.416 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.82 73.17 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.0 -47.42 62.24 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.621 -1.299 . . . . 0.0 110.154 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.03 -25.05 63.38 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.746 -0.597 . . . . 0.0 110.51 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.328 -0.857 . . . . 0.0 109.952 -178.61 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.589 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 8.2 mp -52.81 -39.97 62.86 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.119 -1.613 . . . . 0.0 109.025 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 12' ' ' ILE . 81.5 mt -66.18 -40.03 85.93 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 120.891 -1.131 . . . . 0.0 112.284 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -81.99 -48.65 11.19 Favored 'General case' 0 N--CA 1.511 2.588 0 O-C-N 119.944 -1.723 . . . . 0.0 113.528 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -38.51 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.415 -1.428 . . . . 0.0 108.089 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.589 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 15.5 m-30 -60.0 -37.67 80.38 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.4 -32.67 74.2 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.639 -1.288 . . . . 0.0 110.177 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -55.4 35.65 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.168 -0.958 . . . . 0.0 112.578 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.52 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 36.9 t-80 -81.87 -32.93 30.82 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.062 -1.024 . . . . 0.0 111.05 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.498 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 71.0 m -59.95 -34.32 73.11 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -177.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.45 15.75 14.86 Favored Glycine 0 N--CA 1.514 3.844 0 CA-C-N 120.431 1.468 . . . . 0.0 112.404 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.37 11.53 7.47 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-N 119.099 1.45 . . . . 0.0 109.219 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 18' ' ' HIS . 67.5 tt0 -161.48 27.86 0.13 Allowed 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.31 26.86 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 118.919 -1.61 . . . . 0.0 111.465 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.0 t0 -58.14 144.17 41.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.88 -0.777 . . . . 0.0 109.125 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 63.0 tttp -55.07 -50.02 70.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.913 . . . . 0.0 112.465 -177.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -118.66 24.02 11.13 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.619 -1.301 . . . . 0.0 111.485 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 24' ' ' ASP . 2.9 mtpm? -133.81 142.71 47.98 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.876 -1.14 . . . . 0.0 109.681 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.498 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 1.9 tp -92.34 108.62 20.1 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.497 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.5 m -72.71 158.27 35.93 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 119.982 -1.699 . . . . 0.0 108.703 178.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' SER . 17.5 tptm -42.52 -33.16 0.64 Allowed 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.163 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -84.14 -25.52 29.59 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.281 -1.512 . . . . 0.0 109.911 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' SER . 51.0 mt-10 -69.99 -40.54 75.27 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.651 -1.281 . . . . 0.0 109.856 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.73 -40.21 91.93 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.923 -1.11 . . . . 0.0 109.267 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -64.35 -43.4 94.67 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.12 -37.69 64.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.987 -1.071 . . . . 0.0 110.839 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.0 -50.0 75.45 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -72.0 -40.04 68.79 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.864 0.84 . . . . 0.0 112.249 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.599 HE22 HE21 ' A' ' 48' ' ' GLN . 5.3 tt0 -70.01 -42.12 73.43 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.783 0.801 . . . . 0.0 112.205 -177.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.0 m -60.03 -47.36 86.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.638 -0.664 . . . . 0.0 112.137 -175.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -99.98 -20.04 16.28 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.754 -1.216 . . . . 0.0 112.141 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -128.03 48.76 2.23 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.981 -1.074 . . . . 0.0 109.307 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.533 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 14.5 t -61.16 -40.9 95.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.521 -0.737 . . . . 0.0 110.505 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 m -79.13 -41.23 29.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.237 -0.914 . . . . 0.0 112.249 -177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.727 ' O ' ' O ' ' A' ' 45' ' ' LEU . 38.6 t80 -82.34 -105.48 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.527 -1.358 . . . . 0.0 110.733 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.727 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -9.49 147.81 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.263 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.301 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 21.0 p-10 -91.31 124.85 35.82 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 124.706 3.412 . . . . 0.0 110.552 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -154.68 -90.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.799 -1.188 . . . . 0.0 110.204 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.599 HE21 HE22 ' A' ' 38' ' ' GLN . 79.1 mm-40 -60.6 -44.41 96.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.348 -0.845 . . . . 0.0 112.035 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.533 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 11.0 mtmm -58.63 -17.58 23.31 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -152.47 90.36 1.49 Allowed 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.28 82.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.278 -0.889 . . . . 0.0 109.372 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.99 -38.9 73.7 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.07 87.93 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.756 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -36.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.403 -1.436 . . . . 0.0 108.794 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.13 -39.92 90.25 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.599 -0.688 . . . . 0.0 110.669 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -64.86 -39.89 94.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.174 -0.954 . . . . 0.0 109.962 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.7 mt -69.46 -52.79 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.642 -0.661 . . . . 0.0 111.255 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.497 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -61.24 -35.62 77.75 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.418 -0.801 . . . . 0.0 110.213 -179.077 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -59.95 -47.36 86.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -58.49 -22.38 54.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.564 ' C ' ' H ' ' A' ' 63' ' ' GLU . 34.1 mt -94.75 -25.43 16.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.61 -0.681 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.497 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 80.1 m-20 -73.2 47.45 0.21 Allowed 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.564 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.8 mm-40 -60.0 -40.78 90.38 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.423 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -77.65 -21.77 51.68 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.93 38.89 25.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 107.408 -2.277 . . . . 0.0 107.408 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 37.2 p-10 -94.48 -11.13 30.28 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 121.454 -1.027 . . . . 0.0 111.756 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.9 76.61 Favored Glycine 0 N--CA 1.504 3.214 0 O-C-N 120.941 -1.099 . . . . 0.0 110.795 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 36.8 mp0 -140.69 172.88 12.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.469 -1.607 . . . . 0.0 108.581 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.0 t -111.99 129.43 67.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -95.61 150.88 19.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 108.524 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 29.4 t80 -45.15 -32.41 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.134 -0.979 . . . . 0.0 110.432 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.516 ' NE2' HD22 ' B' ' 87' ' ' ASN . 62.1 mt-30 -72.85 -25.62 61.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.648 -1.282 . . . . 0.0 108.704 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASP . 85.0 mt-10 -84.59 -40.0 18.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 121.679 0.752 . . . . 0.0 110.293 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -69.07 -46.84 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.602 -0.686 . . . . 0.0 111.188 -177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.521 ' CG2' ' CE1' ' A' ' 71' ' ' PHE . 54.4 t -60.03 -39.84 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.194 -0.941 . . . . 0.0 109.218 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.03 -37.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.863 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.443 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.4 tm? -69.78 -55.7 9.14 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.205 -0.935 . . . . 0.0 112.994 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -55.88 -34.57 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 O-C-N 120.313 -1.492 . . . . 0.0 109.587 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.4 81.77 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.67 -25.05 49.24 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt -85.99 -41.35 14.94 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.747 -1.846 . . . . 0.0 109.765 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -56.54 -43.08 79.52 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.526 -1.359 . . . . 0.0 109.582 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 16.0 m -60.04 -40.07 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 109.349 177.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.06 -26.97 68.01 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.02 -39.91 75.53 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.571 -0.706 . . . . 0.0 109.726 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.12 -40.97 91.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.0 109.061 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.544 HD22 ' NE2' ' B' ' 72' ' ' GLN . 26.6 m120 -61.51 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.399 -0.813 . . . . 0.0 109.5 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -88.18 -0.34 56.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.391 -0.818 . . . . 0.0 109.879 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -84.62 -36.45 21.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.928 -1.108 . . . . 0.0 109.28 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.399 -0.813 . . . . 0.0 111.207 -178.78 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.126 0.489 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 33.2 mp0 -59.98 -40.03 87.74 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.067 -1.02 . . . . 0.0 110.202 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -43.82 98.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.313 -1.492 . . . . 0.0 109.174 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -36.88 78.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.087 -1.008 . . . . 0.0 108.768 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.499 ' O ' ' OG1' ' B' ' 10' ' ' THR . 18.9 m -55.75 -50.06 71.43 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.653 0.74 . . . . 0.0 110.426 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.04 72.08 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 112.829 0.678 . . . . 0.0 112.829 -177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.3 -47.29 61.83 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.641 -1.287 . . . . 0.0 110.086 -178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.0 -25.24 63.51 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.719 -0.613 . . . . 0.0 110.495 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -68.65 -57.76 5.23 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.362 -0.836 . . . . 0.0 109.967 -178.589 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.593 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 8.1 mp -52.83 -40.05 63.0 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.166 -1.584 . . . . 0.0 109.003 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.1 -39.98 85.91 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 120.956 -1.09 . . . . 0.0 112.284 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -82.21 -48.59 11.09 Favored 'General case' 0 N--CA 1.511 2.604 0 O-C-N 119.987 -1.696 . . . . 0.0 113.54 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.02 -38.4 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.475 -1.391 . . . . 0.0 108.04 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.593 ' CG ' ' O ' ' B' ' 11' ' ' LEU . 15.5 m-30 -59.98 -37.52 79.87 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.62 -32.72 74.22 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.712 -1.243 . . . . 0.0 110.186 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -55.3 36.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.063 -1.023 . . . . 0.0 112.599 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' B' ' 22' ' ' GLU . 36.3 t-80 -81.72 -33.03 31.32 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.038 -1.039 . . . . 0.0 111.139 -178.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 67.2 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.73 15.93 14.07 Favored Glycine 0 N--CA 1.514 3.851 0 O-C-N 120.364 -1.46 . . . . 0.0 112.393 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.16 11.11 7.56 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 119.053 1.427 . . . . 0.0 109.245 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 22' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' B' ' 18' ' ' HIS . 67.2 tt0 -161.21 27.9 0.14 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.15 26.57 Favored Glycine 0 N--CA 1.482 1.748 0 C-N-CA 118.879 -1.629 . . . . 0.0 111.451 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' ASP . . . . . 0.546 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 52.8 t0 -58.16 144.21 41.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.895 -0.768 . . . . 0.0 109.198 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 63.5 tttp -55.19 -49.92 70.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 0.0 112.516 -177.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -118.5 23.79 11.3 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 120.539 -1.351 . . . . 0.0 111.516 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.546 ' NZ ' ' OD2' ' B' ' 24' ' ' ASP . 2.9 mtpm? -133.71 142.55 48.04 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.871 -1.143 . . . . 0.0 109.678 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.497 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 1.9 tp -91.9 108.75 20.15 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 32' ' ' GLU . 13.9 m -72.88 158.36 35.67 Favored 'General case' 0 C--N 1.29 -1.988 0 O-C-N 119.934 -1.729 . . . . 0.0 108.671 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' B' ' 29' ' ' SER . 17.3 tptm -42.42 -33.21 0.63 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.438 -0.789 . . . . 0.0 110.137 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -84.18 -25.63 29.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.357 -1.464 . . . . 0.0 109.982 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' SER . 51.1 mt-10 -69.99 -40.41 75.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.717 -1.24 . . . . 0.0 109.811 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 3.6 pp -65.44 -40.34 93.15 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.834 -1.166 . . . . 0.0 109.283 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.404 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 74.4 tttt -64.41 -43.38 94.57 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -176.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -73.91 -37.97 64.48 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.154 -0.966 . . . . 0.0 110.782 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.8 tp -59.9 -50.02 75.4 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.331 -0.856 . . . . 0.0 109.475 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.03 -40.03 68.71 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.923 0.868 . . . . 0.0 112.211 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.63 HE22 HE21 ' B' ' 48' ' ' GLN . 5.2 tt0 -70.07 -42.04 73.33 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.76 0.791 . . . . 0.0 112.26 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.99 -47.48 85.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.679 -0.638 . . . . 0.0 112.128 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 33.7 mm-40 -99.85 -19.98 16.4 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.785 -1.197 . . . . 0.0 112.074 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -128.15 48.69 2.25 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.979 -1.076 . . . . 0.0 109.321 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 15.1 t -61.06 -41.03 95.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.6 -0.687 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -79.0 -40.83 30.47 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.213 -0.929 . . . . 0.0 112.266 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' B' ' 45' ' ' LEU . 38.3 t80 -83.55 -92.41 0.07 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.557 -1.339 . . . . 0.0 112.134 -178.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.528 ' O ' ' O ' ' B' ' 44' ' ' PHE . 0.1 OUTLIER -32.47 153.71 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -174.856 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 20.6 p-10 -90.52 123.88 34.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.502 -2.624 . . . . 0.0 110.241 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -154.68 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.969 -1.082 . . . . 0.0 109.984 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.63 HE21 HE22 ' B' ' 38' ' ' GLN . 79.5 mm-40 -60.61 -44.6 96.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 112.021 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 10.3 mtmm -58.72 -17.66 24.76 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.2 90.47 1.52 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.43 82.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.864 . . . . 0.0 109.299 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.89 -38.63 73.06 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.06 91.32 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.506 -177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -36.57 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.456 -1.403 . . . . 0.0 108.769 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.16 -40.03 90.24 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.497 -0.752 . . . . 0.0 110.711 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.159 -0.963 . . . . 0.0 109.881 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 23.6 mt -69.35 -52.68 30.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.662 -0.649 . . . . 0.0 111.386 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.494 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -61.33 -35.68 78.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.371 -0.831 . . . . 0.0 110.225 -179.088 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -59.97 -47.5 85.54 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -58.71 -20.73 51.41 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.581 ' C ' ' H ' ' B' ' 63' ' ' GLU . 34.4 mt -96.17 -25.7 15.74 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.619 -0.675 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.494 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 80.9 m-20 -73.18 47.41 0.2 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.581 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.8 mm-40 -59.99 -40.62 89.76 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.463 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -77.76 -21.64 51.46 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.95 38.71 26.08 Favored Glycine 0 N--CA 1.484 1.862 0 N-CA-C 107.426 -2.27 . . . . 0.0 107.426 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.444 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 36.8 p-10 -94.39 -11.32 30.13 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 121.449 -1.03 . . . . 0.0 111.819 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.86 1.78 76.21 Favored Glycine 0 N--CA 1.503 3.116 0 O-C-N 120.862 -1.149 . . . . 0.0 110.774 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 37.1 mp0 -140.65 173.01 11.91 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.344 -1.68 . . . . 0.0 108.451 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 11.0 t -112.02 129.56 67.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 73' ' ' GLU . 95.8 m-20 -95.76 151.03 19.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.153 -0.967 . . . . 0.0 108.433 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 28.9 t80 -45.27 -32.34 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.132 -0.98 . . . . 0.0 110.517 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.544 ' NE2' HD22 ' A' ' 87' ' ' ASN . 61.5 mt-30 -72.93 -25.4 61.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.641 -1.287 . . . . 0.0 108.723 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.8 mt-10 -84.72 -40.01 17.83 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.658 0.742 . . . . 0.0 110.248 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -69.09 -46.89 66.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.709 -0.619 . . . . 0.0 111.203 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.519 ' CG2' ' CE1' ' B' ' 71' ' ' PHE . 54.6 t -59.92 -39.87 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.259 -0.9 . . . . 0.0 109.262 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.0 -37.29 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.855 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . 0.428 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.4 tm? -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.219 -0.925 . . . . 0.0 113.004 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 33.9 m -55.77 -34.69 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 120.331 -1.481 . . . . 0.0 109.528 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.97 -38.71 83.06 Favored 'General case' 0 C--N 1.29 -1.999 0 O-C-N 121.592 -0.692 . . . . 0.0 109.372 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.51 -24.93 49.92 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.97 -41.48 14.85 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.772 -1.83 . . . . 0.0 109.823 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -56.36 -43.19 78.91 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.541 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 16.0 m -60.01 -40.09 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.043 -1.036 . . . . 0.0 109.373 178.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.95 -26.96 67.89 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.05 -39.82 75.49 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.553 -0.717 . . . . 0.0 109.639 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.03 -41.1 91.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 109.076 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.516 HD22 ' NE2' ' A' ' 72' ' ' GLN . 26.8 m120 -61.36 -40.02 92.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 109.558 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -88.12 -0.34 56.95 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.349 -0.845 . . . . 0.0 109.893 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -84.61 -36.51 21.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.983 -1.073 . . . . 0.0 109.345 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.398 -0.814 . . . . 0.0 111.273 -178.783 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 92.6 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -150.02 162.94 39.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.248 -0.908 . . . . 0.0 109.505 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 34.5 p -89.62 114.41 26.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.274 -0.892 . . . . 0.0 109.852 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -60.05 -41.06 91.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.617 -0.677 . . . . 0.0 110.163 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.23 111.23 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.224 -0.923 . . . . 0.0 108.832 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -130.05 19.63 5.44 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.556 ' O ' ' N ' ' X' ' 10' ' ' ILE . 43.8 t90 -60.0 -48.78 80.3 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.239 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.525 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 1.3 t-20 -50.14 -31.52 13.7 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 119.716 -1.865 . . . . 0.0 109.035 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.9 -27.19 68.63 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' X' ' 7' ' ' TRP . 6.0 tt -48.55 -40.01 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.458 ' H ' HG23 ' X' ' 10' ' ' ILE . 44.9 tp -69.97 -40.01 75.62 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.952 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.435 ' O ' ' OG ' ' X' ' 12' ' ' SER . 12.8 t . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.177 -0.952 . . . . 0.0 109.492 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.437 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 57.6 m . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -61.22 -39.05 88.79 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 81.3 p -61.27 -9.87 5.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.494 -0.754 . . . . 0.0 109.76 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' Y' ' 1' ' ' THR . 65.5 mttm -135.85 158.6 44.0 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.405 -0.809 . . . . 0.0 109.612 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 26.6 pt -112.01 127.8 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 CA-C-O 121.904 0.859 . . . . 0.0 110.531 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -111.29 21.01 16.76 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.405 -0.809 . . . . 0.0 109.158 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.637 ' N ' ' OD2' ' B' ' 46' ' ' ASP . 33.7 t90 -59.96 -50.01 75.42 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.844 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.503 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 2.9 p-10 -50.27 -33.35 19.5 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 119.716 -1.865 . . . . 0.0 109.064 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -59.19 -24.88 63.49 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.571 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 4.1 tt -53.41 -35.21 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.32 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.444 ' N ' HG22 ' Y' ' 10' ' ' ILE . 0.1 OUTLIER -65.43 -40.1 92.91 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.228 179.705 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.989 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.514 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 87.3 p -76.83 159.28 30.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -1.134 . . . . 0.0 109.317 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -47.19 -49.77 22.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.14 -0.975 . . . . 0.0 110.583 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.66 -45.21 72.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.917 -1.114 . . . . 0.0 110.347 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.514 ' H ' ' HG ' ' A' ' 2' ' ' SER . 88.6 tt0 -59.95 -39.64 86.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.006 -1.059 . . . . 0.0 108.866 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 58.1 m -48.95 -50.37 35.86 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.884 0.85 . . . . 0.0 110.069 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.76 -27.7 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.63 -49.55 52.76 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.348 -1.47 . . . . 0.0 110.255 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -68.44 -29.02 67.58 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.775 -0.578 . . . . 0.0 110.71 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -63.25 -57.24 11.11 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.878 -1.139 . . . . 0.0 110.22 -178.852 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.418 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 10.1 mp -55.67 -40.11 71.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.251 -1.531 . . . . 0.0 110.254 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.22 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 O-C-N 120.932 -1.105 . . . . 0.0 112.263 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -80.62 -41.77 23.32 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 119.895 -1.753 . . . . 0.0 112.139 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 9.9 p -60.23 -41.75 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.574 -1.329 . . . . 0.0 108.65 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.458 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 4.1 t80 -60.0 -39.35 85.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.917 -1.114 . . . . 0.0 109.872 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.26 27.72 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.302 -0.874 . . . . 0.0 112.905 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -78.88 -42.17 27.94 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.692 -1.255 . . . . 0.0 111.654 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.53 7.73 59.82 Favored Glycine 0 N--CA 1.501 2.967 0 O-C-N 120.521 -1.362 . . . . 0.0 112.595 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.41 -59.28 1.84 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.262 1.531 . . . . 0.0 109.702 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.22 16.98 7.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 111.118 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -164.7 -161.54 13.9 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 118.222 -1.942 . . . . 0.0 112.429 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.6 m-20 -59.89 143.57 51.06 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -51.89 -51.2 58.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.635 -0.665 . . . . 0.0 111.113 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.562 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 54.0 t80 -113.19 17.71 18.47 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.624 -1.298 . . . . 0.0 111.845 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -137.68 146.44 43.83 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.437 -1.415 . . . . 0.0 109.928 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -92.81 165.98 12.65 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.052 -178.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.463 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 58.0 m -131.75 164.34 26.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.226 -0.921 . . . . 0.0 109.664 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.27 -39.98 23.34 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.039 -1.038 . . . . 0.0 111.124 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.64 -31.25 36.52 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 119.912 -1.742 . . . . 0.0 110.563 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.512 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 71.7 mt-10 -70.07 -38.38 75.72 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.396 -1.44 . . . . 0.0 110.855 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.515 ' CD2' ' SD ' ' A' ' 58' ' ' MET . 3.6 pp -63.04 -45.18 93.48 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.452 -1.405 . . . . 0.0 109.813 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.634 ' HZ3' HE22 ' A' ' 38' ' ' GLN . 60.1 tttm -59.93 -38.95 83.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.13 -0.981 . . . . 0.0 111.24 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -71.77 -42.84 66.69 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.291 -0.881 . . . . 0.0 111.635 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.96 -49.91 72.87 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.56 0.695 . . . . 0.0 110.757 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 4.2 mm? -70.51 -42.53 71.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.507 -0.745 . . . . 0.0 112.375 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.634 HE22 ' HZ3' ' A' ' 34' ' ' LYS . 1.9 pt20 -69.67 -41.68 75.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.938 -1.101 . . . . 0.0 112.708 -176.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -50.95 -48.76 60.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.48 -0.762 . . . . 0.0 111.244 -175.446 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.99 -22.73 15.14 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.248 -0.907 . . . . 0.0 111.269 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.8 mt -120.0 31.15 6.65 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.356 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -49.94 -61.61 2.04 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.507 0.67 . . . . 0.0 109.623 179.273 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.7 p -69.9 -21.19 63.33 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.655 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -87.91 -103.87 0.08 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.202 -1.561 . . . . 0.0 110.151 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.655 ' O ' ' O ' ' A' ' 44' ' ' PHE . 2.1 mp -15.42 153.52 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.592 175.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.55 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 0.5 OUTLIER -93.43 99.66 12.11 Favored 'General case' 0 N--CA 1.516 2.832 0 CA-C-N 123.937 3.062 . . . . 0.0 109.268 173.862 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 45.9 t -128.39 -79.69 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.702 0 O-C-N 120.677 -1.264 . . . . 0.0 108.888 179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 38.4 mt-30 -61.81 -39.89 93.32 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.693 -178.095 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' CE ' ' O ' ' A' ' 42' ' ' SER . 2.3 mmtt -65.91 -18.27 65.22 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -146.53 88.65 1.79 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.17 64.54 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -60.2 -39.82 87.92 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.94 81.07 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.23 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -39.83 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.585 -1.322 . . . . 0.0 108.605 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -63.17 -40.08 96.5 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.737 -0.602 . . . . 0.0 111.073 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.21 -39.94 94.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 108.553 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 17.8 mm -63.54 -46.5 94.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.638 -0.664 . . . . 0.0 110.512 179.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.4 mmm -59.48 -39.73 84.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.949 -1.094 . . . . 0.0 109.252 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -46.78 88.4 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.29 -31.74 72.97 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.515 -0.74 . . . . 0.0 109.182 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.514 ' C ' ' H ' ' A' ' 63' ' ' GLU . 40.2 mt -93.59 -17.15 23.63 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.325 -0.859 . . . . 0.0 110.665 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' MET . 96.0 m-20 -77.49 42.92 0.37 Allowed 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.6 mt-10 -60.03 -41.05 91.37 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.938 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -74.78 -18.98 60.39 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.62 33.61 63.54 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 107.814 -2.114 . . . . 0.0 107.814 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -93.47 -8.3 41.96 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.514 -0.992 . . . . 0.0 112.101 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 11.34 80.85 Favored Glycine 0 N--CA 1.503 3.149 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -133.13 173.28 11.6 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 5.6 t -128.53 126.99 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.738 -1.227 . . . . 0.0 108.777 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -93.14 155.04 17.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 108.928 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.88 -21.88 4.81 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.437 -0.79 . . . . 0.0 109.672 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -78.29 -23.78 47.01 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.163 0.982 . . . . 0.0 108.417 178.559 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -85.36 -49.18 8.34 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.861 0.838 . . . . 0.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 10.2 t80 -60.12 -49.68 76.67 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.218 0.532 . . . . 0.0 111.177 -179.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -38.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.178 -0.951 . . . . 0.0 109.573 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.962 -1.086 . . . . 0.0 109.166 177.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.84 -56.38 15.82 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.642 -0.661 . . . . 0.0 112.694 -177.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.7 m -59.91 -36.57 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.662 -1.274 . . . . 0.0 109.928 -178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.07 -41.35 97.37 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 121.555 0.693 . . . . 0.0 111.305 179.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.31 -24.01 46.85 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.556 ' CD1' ' N ' ' A' ' 82' ' ' THR . 3.9 pp -81.6 -45.26 16.08 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 119.459 -2.026 . . . . 0.0 109.659 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.556 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 1.8 t -52.89 -45.6 67.59 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.134 -0.979 . . . . 0.0 110.181 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 12.2 m -56.65 -40.83 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.945 -1.097 . . . . 0.0 109.055 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.4 ' N ' HG21 ' A' ' 83' ' ' VAL . . . -64.07 -26.58 68.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.476 -0.765 . . . . 0.0 109.034 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.61 -42.54 70.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.16 -0.962 . . . . 0.0 110.035 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.76 -41.95 98.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 0.0 110.316 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -66.94 -39.83 87.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.269 -0.894 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -80.45 -11.04 59.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -78.87 -30.29 44.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.197 -0.939 . . . . 0.0 109.02 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -84.41 -11.08 56.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.484 -0.76 . . . . 0.0 110.246 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -60.93 -40.01 91.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.053 -1.029 . . . . 0.0 109.777 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -100.74 0.02 38.09 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.305 -0.872 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.752 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.967 0 N-CA-C 119.607 2.603 . . . . 0.0 119.607 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -77.0 158.87 30.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -1.128 . . . . 0.0 109.272 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -46.96 -49.99 19.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.067 -1.021 . . . . 0.0 110.562 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.49 -44.99 73.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.907 -1.121 . . . . 0.0 110.401 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.62 -39.11 87.01 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.014 -1.054 . . . . 0.0 108.833 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.471 ' O ' ' OG1' ' B' ' 10' ' ' THR . 61.7 m -49.29 -50.34 39.68 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.903 0.859 . . . . 0.0 110.045 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.78 -27.35 65.81 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.79 -49.36 53.6 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.449 -1.407 . . . . 0.0 110.214 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.69 -29.08 67.45 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.712 -0.617 . . . . 0.0 110.667 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.471 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.1 OUTLIER -63.07 -57.3 11.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.134 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.422 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 10.1 mp -55.65 -39.91 71.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.233 -1.542 . . . . 0.0 110.192 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.47 -39.96 87.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.49 -42.17 23.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 119.959 -1.713 . . . . 0.0 112.128 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 9.9 p -60.01 -41.61 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.591 -1.318 . . . . 0.0 108.578 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.452 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 5.0 t80 -59.93 -39.68 86.29 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -59.96 -40.09 87.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.975 -1.078 . . . . 0.0 109.834 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.2 -55.51 23.76 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.301 -0.874 . . . . 0.0 112.973 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -78.84 -42.63 27.07 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.828 -1.17 . . . . 0.0 111.724 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 24' ' ' ASP . 4.3 t -63.72 -31.7 72.96 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -178.198 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.52 7.64 59.79 Favored Glycine 0 N--CA 1.502 3.071 0 O-C-N 120.486 -1.384 . . . . 0.0 112.695 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.48 -58.98 1.87 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.335 1.568 . . . . 0.0 109.71 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.46 17.06 7.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.07 -1.019 . . . . 0.0 111.235 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.511 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -164.66 -161.52 13.83 Favored Glycine 0 N--CA 1.493 2.434 0 C-N-CA 118.299 -1.905 . . . . 0.0 112.352 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.5 m-20 -60.02 143.65 51.36 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.686 0.755 . . . . 0.0 110.227 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -51.89 -51.26 58.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.658 -0.651 . . . . 0.0 111.2 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -113.05 17.51 18.75 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.633 -1.292 . . . . 0.0 111.817 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -137.73 146.34 43.58 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.393 -1.442 . . . . 0.0 110.001 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.5 tp -92.61 166.24 12.59 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.074 -178.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.46 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 63.1 m -132.07 164.57 25.95 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.244 -0.91 . . . . 0.0 109.698 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.38 -39.96 24.05 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.111 -0.993 . . . . 0.0 111.221 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -80.82 -31.26 35.66 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 119.875 -1.766 . . . . 0.0 110.517 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.511 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 71.6 mt-10 -70.01 -38.67 75.99 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.348 -1.47 . . . . 0.0 110.757 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.507 ' CD2' ' SD ' ' B' ' 58' ' ' MET . 3.5 pp -62.57 -45.27 93.68 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.469 -1.394 . . . . 0.0 109.675 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.585 ' HZ1' HE22 ' B' ' 38' ' ' GLN . 58.6 tttm -60.37 -38.56 84.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 111.231 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -72.01 -42.51 66.31 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.313 -0.867 . . . . 0.0 111.444 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.13 -49.97 72.31 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.616 0.722 . . . . 0.0 110.583 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.408 ' N ' ' CD2' ' B' ' 37' ' ' LEU . 4.3 mm? -70.47 -42.86 70.88 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.519 -0.738 . . . . 0.0 112.365 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.585 HE22 ' HZ1' ' B' ' 34' ' ' LYS . 1.8 pt20 -69.33 -41.49 76.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.985 -1.072 . . . . 0.0 112.782 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -51.22 -48.69 62.0 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.436 -0.79 . . . . 0.0 111.277 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.97 -22.59 15.21 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.196 -0.94 . . . . 0.0 111.257 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 90.5 mt -120.08 31.1 6.66 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.475 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -50.03 -61.27 2.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.522 0.677 . . . . 0.0 109.563 179.399 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -70.32 -20.23 63.02 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' B' ' 44' ' ' PHE . 1.8 t80 -89.71 -89.7 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.254 -1.529 . . . . 0.0 111.95 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.432 ' N ' ' CG ' ' B' ' 44' ' ' PHE . 1.4 mp -39.68 160.04 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' Y' ' 7' ' ' TRP . 0.5 OUTLIER -92.63 98.87 11.7 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 121.944 2.157 . . . . 0.0 109.094 177.286 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.45 -79.11 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 O-C-N 121.061 -1.024 . . . . 0.0 108.863 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.21 -39.95 94.47 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.7 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' O ' ' B' ' 42' ' ' SER . 2.1 mmtt -65.75 -18.39 65.3 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -146.44 88.59 1.79 Allowed 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -32.02 64.57 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.26 -39.78 87.98 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -41.02 81.79 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.926 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -39.53 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.476 -1.39 . . . . 0.0 108.889 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -63.14 -39.88 95.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.721 -0.612 . . . . 0.0 111.041 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.26 -40.14 95.2 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.887 -1.133 . . . . 0.0 108.628 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 19.9 mm -63.57 -46.05 96.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.576 -0.703 . . . . 0.0 110.487 179.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.579 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.3 mmm -59.72 -39.79 85.85 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.966 -1.084 . . . . 0.0 109.298 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -46.66 88.81 Favored 'General case' 0 C--N 1.279 -2.48 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -64.34 -29.5 70.57 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.64 -0.662 . . . . 0.0 109.496 179.279 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.528 ' C ' ' H ' ' B' ' 63' ' ' GLU . 38.5 mt -95.11 -17.43 21.83 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 58' ' ' MET . 95.9 m-20 -77.28 42.73 0.35 Allowed 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.11 -40.78 90.89 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.369 -0.932 . . . . 0.0 108.987 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -75.24 -18.96 59.99 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.42 63.1 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 107.686 -2.165 . . . . 0.0 107.686 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -93.25 -8.52 42.01 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.637 -0.92 . . . . 0.0 112.012 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.04 11.33 81.5 Favored Glycine 0 N--CA 1.501 2.971 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -133.22 173.6 11.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.452 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 5.1 t -128.57 127.12 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.737 -1.227 . . . . 0.0 108.806 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -93.61 154.67 17.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.307 -0.871 . . . . 0.0 108.967 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -52.51 -22.12 4.52 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.544 -0.723 . . . . 0.0 109.617 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -78.17 -23.71 47.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.154 0.978 . . . . 0.0 108.513 178.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -85.59 -49.01 8.36 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.833 0.825 . . . . 0.0 109.228 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 11.1 t80 -60.16 -49.64 76.84 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.256 0.551 . . . . 0.0 111.065 -179.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 52.2 t -60.04 -38.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.25 -39.87 82.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.117 177.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.62 -56.4 16.1 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 121.571 -0.705 . . . . 0.0 112.747 -177.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.5 m -60.04 -36.02 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.643 -1.285 . . . . 0.0 109.878 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.53 -41.54 96.3 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-O 121.527 0.68 . . . . 0.0 111.293 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.455 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.27 -23.77 47.11 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.561 ' CD1' ' N ' ' B' ' 82' ' ' THR . 4.1 pp -82.14 -44.23 16.73 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 119.417 -2.052 . . . . 0.0 109.721 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.561 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 1.9 t -54.03 -45.09 71.5 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.018 -1.051 . . . . 0.0 110.007 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 13.6 m -57.01 -40.57 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.029 -1.044 . . . . 0.0 109.125 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.27 -26.72 68.62 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.57 -42.65 70.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.173 -0.954 . . . . 0.0 110.084 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.52 -42.18 98.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.264 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.68 -40.04 88.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.239 -0.913 . . . . 0.0 110.718 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.31 -10.97 59.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.751 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -79.08 -29.97 43.68 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.188 -0.945 . . . . 0.0 108.899 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -84.55 -11.16 56.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.751 . . . . 0.0 110.182 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -60.71 -40.42 92.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.969 -1.082 . . . . 0.0 109.773 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -100.34 -0.12 38.95 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.284 -0.885 . . . . 0.0 109.357 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.797 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -59.92 -48.02 83.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.208 -0.933 . . . . 0.0 109.594 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' X' X ' 3' ' ' THR . . . . . 0.466 ' O ' ' O ' ' X' ' 4' ' ' LYS . 5.0 t -174.08 112.41 0.18 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.295 -0.878 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' X' ' 3' ' ' THR . 0.0 OUTLIER 51.91 106.04 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.28 -0.888 . . . . 0.0 110.078 179.304 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' X' ' 7' ' ' TRP . 10.7 pt -60.01 -40.02 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.147 -0.97 . . . . 0.0 109.555 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.443 ' OD1' ' OD2' ' A' ' 50' ' ' ASP . 32.6 m-20 43.44 19.71 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.196 -0.94 . . . . 0.0 110.327 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.499 ' N ' ' O ' ' X' ' 5' ' ' ILE . 39.4 t90 -60.17 -49.97 75.51 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.156 0.979 . . . . 0.0 110.079 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.24 -30.17 49.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.595 -1.315 . . . . 0.0 108.959 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.684 ' NZ ' ' HZ1' ' A' ' 56' ' ' LYS . 10.1 ttmm -59.93 -25.08 64.87 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.489 ' N ' ' O ' ' X' ' 7' ' ' TRP . 5.5 tt -54.94 -39.37 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.423 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 55.6 tp -66.18 -41.45 90.27 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.296 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.4 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 12.2 t . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.407 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.487 ' HG1' ' H ' ' Y' ' 3' ' ' THR . 1.5 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.364 0.602 . . . . 0.0 109.623 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.484 ' N ' ' HG1' ' Y' ' 1' ' ' THR . 8.1 ptm180 -69.97 -26.87 64.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.414 -0.804 . . . . 0.0 110.234 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . 0.487 ' H ' ' HG1' ' Y' ' 1' ' ' THR . 6.9 p -114.86 135.32 54.32 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.373 -0.83 . . . . 0.0 109.797 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.425 ' HD2' ' H ' ' Y' ' 4' ' ' LYS . 0.0 OUTLIER -84.8 160.46 20.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 109.08 179.734 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.508 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.2 pt -95.43 127.25 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.18 18.35 21.8 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.225 -0.922 . . . . 0.0 108.69 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.502 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 41.0 t90 -60.02 -50.07 75.18 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.598 -0.689 . . . . 0.0 111.838 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.53 -33.14 59.48 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 119.597 -1.94 . . . . 0.0 109.158 -178.814 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.97 -24.29 64.3 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.502 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -51.3 -37.33 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.416 ' N ' HG21 ' Y' ' 10' ' ' ILE . 58.3 tp -64.16 -40.17 95.57 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.378 179.594 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.571 2.588 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -76.72 156.6 32.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.209 -1.171 . . . . 0.0 109.42 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -42.37 -57.4 2.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.21 -41.06 90.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.03 -1.044 . . . . 0.0 110.004 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.47 -32.84 74.41 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.037 -1.039 . . . . 0.0 109.634 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.4 m -59.15 -47.99 83.25 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.927 0.87 . . . . 0.0 109.339 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.2 68.3 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.52 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 ttt -70.63 -48.43 55.08 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.452 -1.405 . . . . 0.0 110.44 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.96 -25.84 63.82 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.705 -0.622 . . . . 0.0 110.359 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.464 ' H ' ' HG1' ' A' ' 10' ' ' THR . 0.0 OUTLIER -66.94 -57.95 5.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.953 -1.092 . . . . 0.0 109.765 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.405 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.9 mp -54.2 -39.98 67.18 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.222 -1.549 . . . . 0.0 110.294 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.84 -40.02 82.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.038 -1.039 . . . . 0.0 112.63 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -80.66 -42.65 21.7 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 119.891 -1.755 . . . . 0.0 112.304 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 7.7 p -59.9 -40.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.701 -1.249 . . . . 0.0 108.4 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.437 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 9.1 t80 -60.48 -39.62 88.33 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.897 -1.127 . . . . 0.0 110.599 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.34 23.03 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -78.66 -45.15 22.08 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.973 -1.08 . . . . 0.0 110.694 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 61.3 p -60.04 -26.58 66.23 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.741 -0.599 . . . . 0.0 112.515 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 3.96 57.39 Favored Glycine 0 N--CA 1.5 2.942 0 O-C-N 120.793 -1.192 . . . . 0.0 111.346 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.535 ' C ' ' H ' ' A' ' 23' ' ' GLY . 67.2 mttm -124.22 -65.15 1.07 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.311 -1.111 . . . . 0.0 108.945 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.9 20.7 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.186 -0.946 . . . . 0.0 109.891 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.535 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 175.08 -174.29 46.68 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 118.721 -1.705 . . . . 0.0 112.317 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 36.8 t0 -39.29 152.34 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.556 0.693 . . . . 0.0 110.153 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 3.5 mptp? -52.08 -40.01 60.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.548 -0.72 . . . . 0.0 112.363 -176.608 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -135.89 35.99 2.85 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.309 -1.495 . . . . 0.0 112.348 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -140.37 147.02 39.16 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.653 -1.279 . . . . 0.0 109.493 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -94.28 162.38 13.87 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.067 0.937 . . . . 0.0 108.503 -179.71 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.509 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.7 t -130.66 161.04 32.51 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' SER . 55.7 tttt -47.08 -34.09 5.57 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 117.668 -1.613 . . . . 0.0 111.48 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -81.02 -30.05 35.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.195 -1.566 . . . . 0.0 110.545 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.7 mt-10 -73.59 -39.95 64.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.405 -1.434 . . . . 0.0 110.719 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.413 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 3.6 pp -59.94 -44.87 94.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.493 -1.38 . . . . 0.0 108.747 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.413 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 83.6 tttt -63.6 -39.96 95.7 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.79 -0.569 . . . . 0.0 111.961 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.743 -1.223 . . . . 0.0 110.859 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.49 -41.86 98.56 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.499 0.666 . . . . 0.0 110.842 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.5 mt -79.07 -46.85 17.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' THR . 2.5 pt20 -65.26 -39.9 93.23 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.915 0.865 . . . . 0.0 112.981 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.5 m -52.65 -45.25 66.64 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.836 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -101.61 -16.88 16.59 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.082 -1.011 . . . . 0.0 111.778 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 43.2 mt -132.9 50.0 2.27 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.88 -1.138 . . . . 0.0 109.286 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 25.8 p -63.0 -49.83 73.14 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 110.699 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -68.39 -39.95 81.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.155 -0.965 . . . . 0.0 111.688 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.588 ' O ' ' C ' ' A' ' 45' ' ' LEU . 13.9 t80 -83.83 -106.18 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.588 ' C ' ' O ' ' A' ' 44' ' ' PHE . 3.8 mp -9.69 127.65 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.237 0 CA-C-O 114.906 -2.473 . . . . 0.0 109.774 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -91.13 117.1 29.34 Favored 'General case' 0 N--CA 1.525 3.3 1 CA-C-N 127.9 4.864 . . . . 0.0 110.067 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 21.3 m -148.76 -40.19 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.77 -1.206 . . . . 0.0 110.129 178.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -94.43 -40.37 9.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.044 -1.035 . . . . 0.0 111.806 -178.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.1 -52.38 65.57 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 178.362 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.443 ' OD2' ' OD1' ' X' ' 6' ' ' ASP . 81.5 m-20 -104.37 95.06 5.68 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.6 72.09 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 50.8 t0 -59.91 -38.35 82.05 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.02 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.4 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.563 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -34.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.594 -1.316 . . . . 0.0 108.616 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 61.3 t0 -65.68 -40.01 91.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.977 -1.077 . . . . 0.0 110.496 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.684 ' HZ1' ' NZ ' ' X' ' 9' ' ' LYS . 4.8 mmmm -69.47 -42.96 74.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.202 -0.936 . . . . 0.0 110.557 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.16 -55.76 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.9 ttt -59.9 -32.42 70.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.67 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -49.78 76.32 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.301 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -24.91 63.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.482 ' CD1' ' O ' ' A' ' 73' ' ' GLU . 5.5 tp -81.33 -15.82 54.22 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 55.3 t0 -90.75 65.08 5.77 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.44 -35.59 81.37 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.794 -0.566 . . . . 0.0 110.107 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.524 HD22 ' CG ' ' A' ' 66' ' ' ASP . 25.7 p-10 -71.54 -12.88 61.6 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.51 68.33 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.552 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 32.5 p-10 -93.71 -117.36 0.09 Allowed 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.552 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -158.76 26.8 0.39 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -133.14 173.93 10.91 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.16 129.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 120.593 -1.317 . . . . 0.0 109.011 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -96.03 149.86 21.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.82 -1.175 . . . . 0.0 108.289 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -45.32 -31.94 1.81 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.097 -1.002 . . . . 0.0 110.012 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 76.3 mt-30 -69.97 -33.15 71.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.603 -1.311 . . . . 0.0 108.328 178.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASP . 51.9 mt-10 -78.63 -49.36 13.35 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.823 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 68.5 t80 -60.03 -48.78 80.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.49 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.9 -34.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.096 -1.002 . . . . 0.0 110.406 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -59.91 -40.44 82.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.809 -1.182 . . . . 0.0 110.198 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.481 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 1.8 tm? -64.41 -48.82 73.94 Favored 'General case' 0 N--CA 1.51 2.553 0 O-C-N 120.906 -1.121 . . . . 0.0 111.922 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -59.92 -40.06 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.781 -1.199 . . . . 0.0 109.739 -178.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.98 97.02 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 121.632 0.73 . . . . 0.0 111.738 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.6 -23.28 49.91 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 12.1 mt -80.84 -41.39 23.28 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.439 -2.038 . . . . 0.0 109.707 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -55.45 -45.1 76.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.238 -0.914 . . . . 0.0 109.983 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.416 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 11.6 m -60.03 -40.76 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.136 -0.978 . . . . 0.0 109.964 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.52 -26.3 67.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.483 -0.761 . . . . 0.0 109.136 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -72.49 -47.06 51.69 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.574 -0.704 . . . . 0.0 110.765 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -63.22 -42.54 99.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.99 -1.069 . . . . 0.0 110.613 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -61.63 -40.02 93.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.286 -0.884 . . . . 0.0 110.987 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 64.9 t80 -88.78 -9.92 50.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.044 . . . . 0.0 110.112 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.442 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 64.7 t80 -73.43 -37.27 65.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 0.0 108.887 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -80.5 -10.25 59.75 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.419 -0.801 . . . . 0.0 110.518 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -67.6 -39.96 84.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.938 -1.101 . . . . 0.0 109.064 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 89' ' ' PHE . 50.6 p30 -92.7 0.05 57.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.484 -0.76 . . . . 0.0 109.836 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.9 m . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.082 -1.011 . . . . 0.0 109.624 -179.856 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.955 0 N-CA-C 119.614 2.606 . . . . 0.0 119.614 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 31.9 t -76.96 156.41 31.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.156 -1.202 . . . . 0.0 109.332 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 79.0 mm-40 -42.03 -57.35 2.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.371 -0.831 . . . . 0.0 110.871 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.53 -40.88 89.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.952 -1.093 . . . . 0.0 110.004 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.77 -32.54 74.07 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.06 -1.025 . . . . 0.0 109.57 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.46 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -59.39 -47.82 83.99 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.972 0.891 . . . . 0.0 109.279 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.97 -27.75 67.7 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.59 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ttt -70.74 -48.28 55.32 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.528 -1.357 . . . . 0.0 110.34 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.0 -25.87 63.8 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.604 -0.685 . . . . 0.0 110.412 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -66.94 -57.88 6.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.965 -1.085 . . . . 0.0 109.803 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 8.9 mp -54.26 -40.12 67.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.123 -1.61 . . . . 0.0 110.243 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.7 mt -67.73 -39.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -80.68 -42.59 21.77 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 119.94 -1.725 . . . . 0.0 112.263 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 7.2 p -60.02 -40.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.726 -1.234 . . . . 0.0 108.286 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.452 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 10.1 t80 -60.3 -39.67 87.76 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.758 -1.214 . . . . 0.0 110.462 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -56.28 23.78 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -78.73 -45.09 21.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.994 -1.066 . . . . 0.0 110.698 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 59.8 p -59.92 -27.13 66.5 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.792 -0.568 . . . . 0.0 112.47 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.78 4.26 57.73 Favored Glycine 0 N--CA 1.501 2.971 0 O-C-N 120.803 -1.186 . . . . 0.0 111.386 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.526 ' C ' ' H ' ' B' ' 23' ' ' GLY . 68.6 mttm -124.05 -65.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.273 -1.134 . . . . 0.0 108.818 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.94 20.72 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.123 -0.986 . . . . 0.0 110.044 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.526 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 175.36 -174.05 46.59 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 118.652 -1.737 . . . . 0.0 112.319 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 37.2 t0 -39.57 152.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.522 0.677 . . . . 0.0 110.225 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 3.5 mptp? -51.93 -40.09 60.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.533 -0.73 . . . . 0.0 112.354 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -135.71 35.65 2.9 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.356 -1.465 . . . . 0.0 112.372 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -140.2 146.7 39.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.651 -1.281 . . . . 0.0 109.503 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.81 162.31 13.97 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 122.109 0.957 . . . . 0.0 108.594 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.506 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.6 t -130.55 161.1 32.25 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -47.19 -34.05 5.95 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 117.646 -1.621 . . . . 0.0 111.453 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -81.11 -29.99 34.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.151 -1.593 . . . . 0.0 110.409 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.506 ' HB2' ' H ' ' B' ' 29' ' ' SER . 49.4 mt-10 -73.53 -40.05 64.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.483 -1.386 . . . . 0.0 110.68 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.426 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 3.6 pp -59.91 -44.66 94.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.547 -1.345 . . . . 0.0 108.773 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.426 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 83.1 tttt -63.7 -39.97 95.62 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.07 -40.01 75.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.634 -1.291 . . . . 0.0 110.886 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 50.2 tp -63.64 -41.65 98.22 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-O 121.549 0.69 . . . . 0.0 110.808 -178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.2 mt -79.13 -46.84 17.2 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' B' ' 39' ' ' THR . 2.5 pt20 -65.22 -39.97 93.47 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.878 0.847 . . . . 0.0 112.904 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.454 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 69.5 m -52.45 -45.52 66.06 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.872 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -101.52 -16.9 16.64 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.08 -1.012 . . . . 0.0 111.773 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 40.4 mt -132.74 49.96 2.27 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.886 -1.133 . . . . 0.0 109.214 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.519 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 22.8 p -63.03 -49.71 73.55 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.881 . . . . 0.0 110.673 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.473 ' H ' ' HG ' ' B' ' 42' ' ' SER . 37.4 t -68.19 -39.97 82.32 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.191 -0.943 . . . . 0.0 111.814 -178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.2 t80 -84.53 -92.29 0.08 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.796 -1.19 . . . . 0.0 112.778 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.539 ' C ' ' O ' ' B' ' 44' ' ' PHE . 3.0 mp -33.52 134.86 0.13 Allowed 'General case' 0 N--CA 1.515 2.798 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.494 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.508 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.3 t0 -90.82 116.34 28.58 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-N 125.033 3.56 . . . . 0.0 109.726 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 23.0 m -148.66 -39.97 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.056 . . . . 0.0 109.888 178.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -94.38 -40.5 9.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.155 -0.966 . . . . 0.0 111.842 -178.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.519 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -59.98 -52.55 64.92 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -104.47 95.37 5.88 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.29 71.78 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 52' ' ' ASP . 50.3 t0 -59.94 -38.29 81.98 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.28 93.83 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.216 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -34.55 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.558 -1.339 . . . . 0.0 108.746 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 61.2 t0 -65.52 -40.01 92.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.967 -1.083 . . . . 0.0 110.505 -178.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -69.28 -43.27 74.22 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.224 -0.923 . . . . 0.0 110.505 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.94 -55.8 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.523 -0.736 . . . . 0.0 110.166 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.1 ttt -59.97 -32.52 70.9 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.524 -0.735 . . . . 0.0 109.691 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -49.99 75.53 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 118.89 -1.124 . . . . 0.0 108.324 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -70.53 -22.92 62.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.978 . . . . 0.0 108.697 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' B' ' 73' ' ' GLU . 5.5 tp -82.94 -15.9 49.5 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -90.64 65.1 5.88 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -35.56 81.24 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.078 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.516 HD22 ' CG ' ' B' ' 66' ' ' ASP . 25.1 p-10 -71.51 -12.97 61.65 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.76 25.22 67.82 Favored Glycine 0 N--CA 1.485 1.905 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.553 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 32.5 p-10 -93.97 -117.31 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.553 ' H ' ' CG ' ' B' ' 66' ' ' ASP . . . -158.89 26.85 0.39 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -133.14 173.87 10.98 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.98 129.79 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.601 -1.312 . . . . 0.0 109.066 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 73' ' ' GLU . 96.0 m-20 -95.94 149.56 21.42 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.812 -1.18 . . . . 0.0 108.331 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -45.33 -31.62 1.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.047 . . . . 0.0 110.089 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -70.05 -33.19 71.63 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 108.337 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.528 ' N ' ' O ' ' B' ' 70' ' ' ASP . 52.0 mt-10 -78.55 -49.34 13.49 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.804 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 69.6 t80 -59.85 -49.08 79.11 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.191 -0.943 . . . . 0.0 112.426 -178.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 39.8 t -60.02 -33.89 54.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.091 -1.006 . . . . 0.0 110.309 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 51.2 t -59.84 -40.57 83.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.889 -1.132 . . . . 0.0 110.239 178.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.475 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 1.7 tm? -64.52 -48.82 73.68 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.887 -1.133 . . . . 0.0 111.989 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 t -59.9 -40.08 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 120.566 -1.334 . . . . 0.0 109.66 -178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.45 97.13 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-O 121.689 0.756 . . . . 0.0 111.803 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.03 -23.23 48.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.63 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 12.3 mt -81.19 -40.66 23.54 Favored 'General case' 0 N--CA 1.511 2.598 0 O-C-N 119.392 -2.068 . . . . 0.0 109.561 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -55.99 -45.19 79.09 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.268 -0.895 . . . . 0.0 109.918 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 11.9 m -60.0 -40.82 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.056 -1.028 . . . . 0.0 109.929 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.24 -26.41 67.73 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.465 -0.772 . . . . 0.0 109.066 -179.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -72.68 -47.16 49.63 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.654 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -63.29 -42.12 99.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.1 -1.0 . . . . 0.0 110.692 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -61.87 -40.01 93.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.284 -0.885 . . . . 0.0 111.063 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 65.2 t80 -88.8 -9.85 50.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.107 -0.995 . . . . 0.0 109.984 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.436 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 64.7 t80 -73.54 -37.15 65.69 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.219 -0.925 . . . . 0.0 109.023 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -80.5 -10.36 59.74 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.453 -0.78 . . . . 0.0 110.365 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -67.37 -40.01 85.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.844 -1.16 . . . . 0.0 109.111 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 50.4 p30 -92.74 -0.02 57.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.383 -0.823 . . . . 0.0 109.924 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.043 -1.036 . . . . 0.0 109.553 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 59.4 m . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.429 ' O ' ' OG1' ' X' ' 3' ' ' THR . 74.2 ttt180 -143.3 156.45 44.72 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.053 -1.029 . . . . 0.0 109.204 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 3' ' ' THR . . . . . 0.436 ' O ' ' O ' ' X' ' 4' ' ' LYS . 18.9 p 54.03 -160.45 0.15 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.298 -0.876 . . . . 0.0 109.582 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 1.424 ' HA ' ' CA ' ' X' ' 4' ' ' LYS 0.823 0.1 OUTLIER 78.61 109.45 0.07 Allowed 'General case' 1 N--CA 1.616 7.865 2 C-N-CA 108.326 -5.35 . . . . 0.0 107.931 177.726 . . . . . . . . 6 4 . 1 . 003 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' X' ' 7' ' ' TRP . 5.1 pt -62.12 -40.01 85.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 1 CA-C-N 126.755 4.343 . . . . 0.0 110.36 170.204 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 47.35 18.37 0.1 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.039 -1.038 . . . . 0.0 110.447 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.585 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 32.4 t90 -60.09 -49.9 75.84 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.03 -1.044 . . . . 0.0 110.418 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.574 ' C ' HD21 ' X' ' 8' ' ' ASN . 0.2 OUTLIER -51.3 -35.68 38.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.776 -1.828 . . . . 0.0 109.14 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.497 ' HZ3' ' NZ ' ' A' ' 56' ' ' LYS . 34.0 tttp -56.1 -23.4 33.85 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.561 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -55.07 -38.44 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 66.4 tp -59.92 -43.96 94.58 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 117.902 -1.047 . . . . 0.0 109.26 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 22.9 ttm105 60.01 21.7 10.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.353 -0.842 . . . . 0.0 109.043 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 5.6 t -143.76 43.2 1.47 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.342 -0.849 . . . . 0.0 109.007 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -93.21 13.21 21.86 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.283 -0.886 . . . . 0.0 109.891 -179.513 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.505 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.7 OUTLIER 34.69 97.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.25 0 CA-C-O 122.703 1.239 . . . . 0.0 110.707 -179.493 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.413 ' HB3' ' HZ2' ' Y' ' 9' ' ' LYS . 92.4 m-20 -98.14 27.87 4.35 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 33.5 t90 -59.97 -48.04 83.35 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.684 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.424 ' CG ' ' N ' ' Y' ' 9' ' ' LYS . 10.8 p-10 -49.26 -38.22 26.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.341 -1.474 . . . . 0.0 109.083 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.424 ' N ' ' CG ' ' Y' ' 8' ' ' ASN . 4.9 ttpm? -59.49 -24.45 63.61 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 12.9 tt -52.83 -34.05 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.42 -38.18 89.15 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.791 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.7 t . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.614 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.418 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 39.8 m -80.39 167.61 19.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.132 -1.217 . . . . 0.0 109.088 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.447 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.4 mp0 -60.05 -43.38 95.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.893 -1.129 . . . . 0.0 111.452 -178.35 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.2 -41.69 89.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.371 -1.455 . . . . 0.0 111.467 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 2' ' ' SER . 14.0 pt-20 -69.95 -23.69 63.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.431 -1.418 . . . . 0.0 109.296 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 m -59.95 -42.01 93.14 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.877 0.846 . . . . 0.0 109.167 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.89 -27.6 55.05 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -65.78 -52.7 48.66 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.348 -1.47 . . . . 0.0 109.629 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -31.23 69.75 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.125 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -68.17 -56.71 7.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.754 -1.216 . . . . 0.0 110.316 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -47.71 -39.7 18.3 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.305 -1.497 . . . . 0.0 108.957 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.42 -40.02 81.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 O-C-N 121.419 -0.801 . . . . 0.0 111.699 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -77.04 -41.66 41.62 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.014 -1.679 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 15' ' ' PHE . 8.6 m -60.43 -44.77 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 109.074 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.493 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 6.4 t80 -60.16 -40.4 89.77 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.733 -0.605 . . . . 0.0 109.726 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.25 -36.16 79.24 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.453 -1.404 . . . . 0.0 109.204 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.08 -55.72 29.48 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.536 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 3.9 t60 -84.57 -40.05 18.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.801 -1.187 . . . . 0.0 111.29 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -60.15 -29.4 68.63 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.354 -0.841 . . . . 0.0 113.026 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.53 9.97 41.83 Favored Glycine 0 N--CA 1.504 3.229 0 O-C-N 120.75 -1.219 . . . . 0.0 112.717 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -115.57 -62.52 1.58 Allowed 'General case' 0 N--CA 1.507 2.39 0 CA-C-N 119.483 1.641 . . . . 0.0 109.062 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.66 77.1 2.04 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.21 -155.39 26.11 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.892 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 54.3 t0 -82.34 153.08 25.97 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.1 mtmp? -57.48 -53.74 54.72 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.134 -0.978 . . . . 0.0 112.499 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 65.0 t80 -117.71 22.9 12.06 Favored 'General case' 0 N--CA 1.511 2.615 0 O-C-N 120.494 -1.379 . . . . 0.0 112.549 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -133.01 140.01 47.52 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.56 -1.338 . . . . 0.0 108.239 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.8 tp -93.96 157.72 15.97 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.111 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.57 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 71.3 m -130.36 167.97 17.68 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.982 -1.074 . . . . 0.0 109.989 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.551 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 tptt -47.75 -38.76 16.13 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.284 -0.885 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 78.1 tttt -82.15 -30.94 30.76 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.242 -1.536 . . . . 0.0 110.485 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HB2' ' H ' ' A' ' 29' ' ' SER . 46.8 mt-10 -70.03 -39.91 75.5 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.533 -1.355 . . . . 0.0 110.481 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 3.3 pp -65.49 -42.03 92.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.62 ' HZ3' ' NE2' ' A' ' 48' ' ' GLN . 52.9 tttm -62.43 -38.66 90.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 112.038 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.536 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 3.5 p30 -80.73 -37.69 30.1 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 111.386 -177.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 42.6 tp -60.17 -49.74 76.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.995 -1.065 . . . . 0.0 109.216 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.7 mp -69.08 -42.55 76.04 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.834 0.826 . . . . 0.0 110.573 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' NE2' ' OG ' ' A' ' 42' ' ' SER . 51.5 tp60 -69.85 -36.67 75.74 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.518 0.675 . . . . 0.0 110.839 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.453 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 88.6 m -59.91 -50.77 72.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.689 -175.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -97.9 -13.46 21.2 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.95 -1.094 . . . . 0.0 111.571 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 mt -128.76 44.37 2.98 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 38' ' ' GLN . 12.1 t -60.16 -49.61 76.96 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.531 0.681 . . . . 0.0 110.589 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.542 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 80.2 p -79.6 -18.65 51.14 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.758 -0.589 . . . . 0.0 111.96 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.7 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t80 -95.14 -105.15 0.15 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.417 -1.427 . . . . 0.0 111.431 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.7 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -13.54 154.07 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.025 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.436 175.898 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.585 ' OD2' ' N ' ' X' ' 7' ' ' TRP . 1.7 m-20 -92.51 112.76 24.83 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 124.191 3.178 . . . . 0.0 110.158 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.0 -83.74 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.488 0 O-C-N 120.445 -1.409 . . . . 0.0 109.716 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.62 ' NE2' ' HZ3' ' A' ' 34' ' ' LYS . 41.2 mm-40 -60.02 -40.06 88.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 111.48 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.542 ' NZ ' ' O ' ' A' ' 43' ' ' SER . 45.3 mtmt -67.3 -19.9 65.54 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -144.67 90.89 2.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.55 77.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.07 -34.03 71.49 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.82 83.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.255 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -36.72 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.496 -1.378 . . . . 0.0 108.41 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.551 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 96.2 m-20 -67.87 -40.55 83.59 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.349 -0.844 . . . . 0.0 111.81 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.497 ' NZ ' ' HZ3' ' X' ' 9' ' ' LYS . 97.6 mttt -70.01 -39.95 75.54 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.953 -1.092 . . . . 0.0 110.35 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 70.3 mt -67.67 -54.36 23.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-O 121.979 0.895 . . . . 0.0 110.559 -179.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ASP . 18.4 ttt -60.07 -37.21 79.23 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.687 -0.633 . . . . 0.0 109.907 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -59.89 -45.71 91.65 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -58.35 -24.69 60.55 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.573 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.6 mt -95.09 -21.24 18.68 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' MET . 85.3 m-20 -73.12 43.54 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.573 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.2 mm-40 -60.35 -40.3 90.22 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.694 -0.803 . . . . 0.0 109.778 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.05 35.9 52.71 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 107.496 -2.242 . . . . 0.0 107.496 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -92.68 -9.07 42.15 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.48 -1.012 . . . . 0.0 111.609 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.13 12.49 75.87 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -133.39 174.29 10.56 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.51 129.39 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 120.813 -1.179 . . . . 0.0 109.397 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 41.3 t0 -98.79 152.75 19.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.034 -1.041 . . . . 0.0 109.144 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.533 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 11.2 t80 -50.38 -19.98 0.98 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.52 -0.737 . . . . 0.0 109.042 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.484 ' OE1' ' N ' ' A' ' 72' ' ' GLN . 1.4 mp0 -77.88 -24.5 48.46 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.883 -1.135 . . . . 0.0 108.349 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' ASP . 80.3 mt-10 -86.98 -49.47 7.32 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.719 0.771 . . . . 0.0 109.987 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -63.59 -47.24 82.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.739 -0.601 . . . . 0.0 110.671 -179.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.99 -40.07 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.028 -1.045 . . . . 0.0 109.677 -179.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -60.7 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.946 -1.096 . . . . 0.0 109.921 178.247 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.435 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.1 tm? -63.16 -50.39 70.58 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.378 -0.826 . . . . 0.0 112.461 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 13.3 m -60.0 -39.57 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 120.438 -1.414 . . . . 0.0 109.285 -179.674 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.16 85.0 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.551 -0.718 . . . . 0.0 109.718 178.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -79.46 -26.43 41.71 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.0 mt -84.5 -47.93 10.1 Favored 'General case' 0 N--CA 1.511 2.607 0 O-C-N 119.332 -2.105 . . . . 0.0 108.911 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.408 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 8.8 t -47.85 -45.65 30.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.475 -0.766 . . . . 0.0 109.472 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 15.5 m -60.18 -41.88 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.0 110.467 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.03 -27.12 66.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 -179.134 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.89 -45.93 47.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.04 -41.09 91.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.977 . . . . 0.0 110.279 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -59.97 -40.12 88.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.162 -0.961 . . . . 0.0 110.184 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.94 -0.8 57.78 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.128 -0.983 . . . . 0.0 109.397 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.27 -19.59 50.18 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -92.56 -2.24 56.32 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' CG ' ' N ' ' A' ' 92' ' ' ASN . 17.1 pt-20 -59.96 -40.91 90.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.403 -0.81 . . . . 0.0 110.455 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 97.0 m-20 -100.41 0.2 39.37 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.216 -0.927 . . . . 0.0 109.344 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.62 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.464 2.546 . . . . 0.0 119.464 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.454 ' H ' ' CD ' ' B' ' 5' ' ' GLU . 49.7 m -80.04 167.72 20.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.091 -1.24 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.41 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.6 mp0 -60.19 -43.38 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.161 -0.962 . . . . 0.0 111.347 -178.169 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.03 -41.86 90.35 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.353 -1.467 . . . . 0.0 111.428 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.454 ' CD ' ' H ' ' B' ' 2' ' ' SER . 14.1 pt-20 -69.96 -23.45 63.19 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.364 -1.46 . . . . 0.0 109.202 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 -42.18 93.55 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 122.015 0.912 . . . . 0.0 109.167 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -76.94 -27.48 54.87 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.6 mmm -65.63 -52.86 48.67 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.447 -1.408 . . . . 0.0 109.691 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.83 -32.03 71.44 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.088 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.71 -56.7 8.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.71 -1.244 . . . . 0.0 110.348 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -47.6 -39.61 17.25 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.249 -1.532 . . . . 0.0 108.968 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.402 HG22 HD12 ' B' ' 12' ' ' ILE . 90.3 mt -68.64 -40.06 81.22 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 O-C-N 121.346 -0.846 . . . . 0.0 111.615 -178.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -76.77 -41.86 43.07 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.008 -1.683 . . . . 0.0 112.087 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.49 ' CG2' ' N ' ' B' ' 15' ' ' PHE . 10.1 m -60.36 -45.01 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.079 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.49 ' N ' ' CG2' ' B' ' 14' ' ' VAL . 6.5 t80 -60.05 -40.41 89.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.787 -0.571 . . . . 0.0 109.667 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -61.23 -36.12 79.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.371 -1.455 . . . . 0.0 109.184 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.74 -56.15 23.9 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -177.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 3.9 t60 -84.47 -40.14 18.06 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.867 -1.146 . . . . 0.0 111.262 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 6.9 m -60.18 -29.53 68.75 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.3 -0.875 . . . . 0.0 113.052 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.36 10.03 42.49 Favored Glycine 0 N--CA 1.505 3.268 0 O-C-N 120.815 -1.178 . . . . 0.0 112.623 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -115.77 -62.33 1.61 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-N 119.553 1.677 . . . . 0.0 109.023 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -99.82 76.83 1.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.49 -155.22 26.02 Favored Glycine 0 N--CA 1.487 2.091 0 C-N-CA 119.407 -1.378 . . . . 0.0 110.854 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 55.6 t0 -82.53 153.01 25.76 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.78 -0.835 . . . . 0.0 108.78 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.535 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 8.3 mtmp? -57.16 -53.92 52.59 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 112.689 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 65.2 t80 -117.48 22.74 12.22 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 120.407 -1.433 . . . . 0.0 112.456 -177.292 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -133.0 140.05 47.55 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.144 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -94.04 157.85 15.9 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.029 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.567 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 68.6 m -130.57 168.11 17.62 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.927 -1.108 . . . . 0.0 110.015 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.544 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 48.0 tptt -47.76 -38.85 16.39 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.339 -0.85 . . . . 0.0 111.005 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.421 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 79.5 tttt -82.01 -31.13 31.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.151 -1.593 . . . . 0.0 110.436 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' H ' ' B' ' 29' ' ' SER . 46.8 mt-10 -69.92 -40.02 75.82 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.481 -1.387 . . . . 0.0 110.473 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.452 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 3.4 pp -65.3 -42.24 93.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.97 -1.081 . . . . 0.0 110.47 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.602 ' NZ ' ' NE2' ' B' ' 48' ' ' GLN . 52.5 tttm -62.27 -38.82 90.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 112.049 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 3.4 p30 -80.61 -37.69 30.68 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.028 -1.045 . . . . 0.0 111.347 -177.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 44.5 tp -59.99 -49.75 76.45 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.983 -1.073 . . . . 0.0 109.203 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 4.9 mp -69.23 -42.48 75.62 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.884 0.849 . . . . 0.0 110.582 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.412 ' NE2' ' OG ' ' B' ' 42' ' ' SER . 51.8 tp60 -69.97 -36.58 75.31 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.546 -0.721 . . . . 0.0 110.915 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 97.2 m -59.95 -50.78 72.41 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.492 -175.101 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -97.76 -13.6 21.3 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.984 -1.073 . . . . 0.0 111.523 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -128.74 44.49 2.95 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.412 ' OG ' ' NE2' ' B' ' 38' ' ' GLN . 13.8 t -60.0 -49.97 75.59 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.599 0.714 . . . . 0.0 110.583 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 83.6 p -79.49 -17.69 53.6 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.66 -0.65 . . . . 0.0 111.935 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' B' ' 45' ' ' LEU . 13.6 t80 -96.42 -92.11 0.22 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.445 -1.409 . . . . 0.0 113.268 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -37.84 160.03 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -176.016 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 1.0 OUTLIER -91.99 113.02 25.18 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 119.053 -2.279 . . . . 0.0 109.59 178.111 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -144.91 -83.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 120.707 -1.246 . . . . 0.0 109.432 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.602 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 41.5 mm-40 -60.04 -40.08 88.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 0.0 111.534 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 43' ' ' SER . 44.0 mtmt -67.64 -19.75 65.24 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -144.46 90.74 2.12 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.01 76.4 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.9 -34.25 71.46 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.86 86.83 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.972 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -36.26 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.413 -1.429 . . . . 0.0 108.437 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.544 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.5 m-20 -68.33 -40.25 81.66 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.198 -0.939 . . . . 0.0 111.801 -178.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.421 ' HZ2' ' CD ' ' Y' ' 9' ' ' LYS . 95.6 mttt -70.39 -39.97 74.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.854 -1.154 . . . . 0.0 110.185 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 81.2 mt -67.44 -54.3 24.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 CA-C-O 121.872 0.844 . . . . 0.0 110.511 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.458 ' O ' ' N ' ' B' ' 62' ' ' ASP . 18.8 ttt -60.02 -37.21 79.08 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.421 0.629 . . . . 0.0 109.98 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -60.08 -45.7 92.03 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -58.88 -22.8 60.02 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.578 ' C ' ' H ' ' B' ' 63' ' ' GLU . 67.6 mt -96.74 -21.09 17.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.404 -0.81 . . . . 0.0 110.152 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' B' ' 58' ' ' MET . 85.0 m-20 -73.3 43.56 0.13 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.578 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.1 mm-40 -60.45 -40.23 90.4 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.661 -0.815 . . . . 0.0 109.735 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -77.94 -19.38 54.72 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.85 35.71 53.99 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -92.43 -9.2 42.42 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.437 -1.037 . . . . 0.0 111.606 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.02 12.72 75.64 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -133.55 174.7 10.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 13.0 t -132.05 129.11 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 120.764 -1.21 . . . . 0.0 109.475 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -98.79 152.58 19.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.991 -1.068 . . . . 0.0 109.064 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 11.0 t80 -50.06 -19.98 0.86 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.496 ' N ' ' OE1' ' B' ' 72' ' ' GLN . 1.4 mp0 -78.08 -24.23 47.71 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.842 -1.161 . . . . 0.0 108.404 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 70' ' ' ASP . 80.7 mt-10 -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.592 0.711 . . . . 0.0 110.005 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 9.2 t80 -63.67 -47.02 82.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.776 -0.578 . . . . 0.0 110.595 -179.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.3 t -60.1 -40.01 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.985 -1.072 . . . . 0.0 109.836 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.55 -40.76 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.832 -1.167 . . . . 0.0 109.942 178.005 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.434 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.1 tm? -63.38 -50.28 70.52 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.223 -0.923 . . . . 0.0 112.53 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.4 m -60.03 -39.49 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.462 -1.399 . . . . 0.0 109.313 -179.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -39.46 86.01 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 121.769 0.795 . . . . 0.0 109.657 179.011 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.43 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -79.38 -26.41 41.99 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.18 -47.61 10.67 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.365 -2.084 . . . . 0.0 109.012 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.404 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 8.8 t -48.24 -45.74 34.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.693 -0.63 . . . . 0.0 109.52 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 14.6 m -60.04 -41.92 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 0.0 110.496 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.1 -26.72 66.43 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.358 -0.839 . . . . 0.0 109.299 -179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -74.35 -45.78 44.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.08 -40.99 91.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -60.16 -39.97 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.124 -0.985 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.91 -0.82 57.78 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.085 -1.009 . . . . 0.0 109.545 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -79.36 -19.66 49.68 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -92.37 -2.27 56.47 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' B' ' 92' ' ' ASN . 17.1 pt-20 -60.06 -41.03 91.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.407 -0.808 . . . . 0.0 110.509 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.418 ' N ' ' CG ' ' B' ' 91' ' ' GLU . 96.9 m-20 -100.16 0.43 40.52 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.207 -0.933 . . . . 0.0 109.292 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.629 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.363 0.602 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? 50.03 -143.19 0.58 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.305 -0.872 . . . . 0.0 109.204 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 53.6 p -120.4 121.64 38.99 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.31 -0.869 . . . . 0.0 109.455 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -37.54 14.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.238 -0.914 . . . . 0.0 109.241 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -161.26 115.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.123 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 p-10 -149.14 9.67 0.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.157 -0.964 . . . . 0.0 109.43 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.591 ' O ' ' N ' ' X' ' 10' ' ' ILE . 8.5 p-90 -69.91 -23.32 63.21 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.212 -1.555 . . . . 0.0 110.105 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' X' ' 7' ' ' TRP . 60.8 t30 -52.97 -32.68 47.44 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 119.421 -2.049 . . . . 0.0 106.197 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' X' ' 12' ' ' SER . 86.3 tttt -63.26 -30.15 71.34 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -42.16 -46.57 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.753 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.547 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 54.9 tp -64.97 -40.17 94.6 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.497 ' N ' ' O ' ' X' ' 9' ' ' LYS . 2.1 t . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.378 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -100.08 11.2 39.91 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.437 -0.79 . . . . 0.0 109.782 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 15.8 p -59.94 -40.04 87.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.232 -0.917 . . . . 0.0 109.141 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -93.08 174.02 7.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.49 -0.756 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.461 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 41.9 pt -99.91 138.25 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -120.88 9.81 10.74 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.027 -1.045 . . . . 0.0 109.251 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 63.7 t90 -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.165 -0.96 . . . . 0.0 111.414 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.467 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 1.2 t-20 -51.4 -34.13 33.29 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 119.356 -2.09 . . . . 0.0 109.467 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.19 -23.2 54.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 7.5 tt -52.39 -40.2 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 177.429 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.472 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 27.8 tp -76.85 -39.9 49.6 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.562 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' Y' ' 11' ' ' LEU . 2.1 p . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.289 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.52 2.568 . . . . 0.0 119.52 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -83.34 158.24 22.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.237 -1.155 . . . . 0.0 109.782 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -41.62 -57.19 2.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.546 -0.721 . . . . 0.0 110.923 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.14 -42.29 84.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.064 -1.022 . . . . 0.0 110.927 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.06 -38.06 81.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.875 -1.14 . . . . 0.0 109.575 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.3 m -54.27 -48.8 70.81 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.002 0.906 . . . . 0.0 110.167 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -26.74 67.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.8 ttt -71.08 -49.06 48.59 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.38 -1.45 . . . . 0.0 110.482 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.96 -26.85 64.31 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.536 -0.727 . . . . 0.0 110.375 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.69 -56.71 13.62 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.856 -1.152 . . . . 0.0 109.024 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.0 mp -59.42 -39.42 83.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.168 -1.582 . . . . 0.0 110.398 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.448 HD13 HG23 ' A' ' 12' ' ' ILE . 73.6 mt -64.16 -39.88 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.426 -1.421 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.47 -41.87 26.55 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.82 -1.8 . . . . 0.0 112.195 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.416 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 8.2 p -61.61 -42.05 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.287 . . . . 0.0 109.483 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.469 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 5.9 t80 -60.09 -39.94 87.84 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.611 -0.68 . . . . 0.0 109.561 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 12' ' ' ILE . 29.0 m80 -62.59 -36.24 82.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.543 -1.348 . . . . 0.0 109.984 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.44 31.89 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.143 -0.973 . . . . 0.0 112.907 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -83.16 -40.77 19.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.968 -1.083 . . . . 0.0 112.252 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -61.32 -31.1 70.95 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.07 15.31 56.7 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 120.614 -1.303 . . . . 0.0 113.087 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.8 -57.83 2.18 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 120.07 1.935 . . . . 0.0 110.322 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -101.48 23.21 11.43 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.168 -0.958 . . . . 0.0 111.339 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.23 -166.63 23.46 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 118.393 -1.86 . . . . 0.0 111.943 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -58.73 140.41 54.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.918 -0.754 . . . . 0.0 109.247 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.08 -50.0 59.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.387 -0.82 . . . . 0.0 111.892 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -108.94 19.96 18.99 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.745 -1.222 . . . . 0.0 112.078 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -136.48 144.54 44.4 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.503 -1.373 . . . . 0.0 110.768 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -92.55 117.62 30.14 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.253 -179.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -77.34 159.93 29.18 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 119.822 -1.799 . . . . 0.0 108.649 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.94 -38.07 2.09 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.13 -0.981 . . . . 0.0 110.543 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -80.31 -27.85 38.36 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.487 -1.383 . . . . 0.0 110.124 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.92 -40.13 72.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.586 -1.321 . . . . 0.0 110.716 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.447 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 2.8 pp -63.79 -44.17 94.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.678 -1.264 . . . . 0.0 109.847 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.447 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 72.2 tttt -64.06 -39.77 94.81 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.446 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.13 -39.95 75.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.766 -1.209 . . . . 0.0 110.908 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.07 -47.47 84.56 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.61 -0.681 . . . . 0.0 110.582 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -69.94 -49.08 55.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.73 . . . . 0.0 112.359 -177.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 12.7 pt20 -65.66 -40.43 92.42 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 96.4 m -48.91 -49.96 37.44 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.199 -0.938 . . . . 0.0 111.427 -174.559 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.04 -13.03 20.04 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.204 -0.935 . . . . 0.0 110.338 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 mt -132.75 40.8 3.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -60.02 -50.71 72.65 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.726 0.774 . . . . 0.0 110.684 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -81.55 -17.63 47.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.668 -0.645 . . . . 0.0 112.268 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -84.07 -105.86 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.096 -1.627 . . . . 0.0 110.476 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.645 ' O ' ' O ' ' A' ' 44' ' ' PHE . 8.4 mp -16.33 153.5 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.895 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.423 174.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -92.95 108.71 20.21 Favored 'General case' 0 N--CA 1.511 2.608 0 CA-C-N 123.547 2.885 . . . . 0.0 109.013 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.498 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -148.18 -61.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 120.166 -1.584 . . . . 0.0 108.678 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.7 mm100 -70.02 -40.27 75.3 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.015 . . . . 0.0 110.243 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.27 -21.82 62.92 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -139.8 90.51 2.4 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.74 67.27 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.03 -37.39 79.64 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.2 81.36 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.683 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -39.14 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.115 -1.616 . . . . 0.0 107.924 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.65 -39.96 94.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.763 -0.586 . . . . 0.0 111.712 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.65 -40.14 96.1 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.812 -1.18 . . . . 0.0 110.08 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.09 -41.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.633 0.73 . . . . 0.0 110.067 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.588 -0.695 . . . . 0.0 111.374 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 2.9 ptmt -65.52 -36.88 85.15 Favored 'General case' 0 C--N 1.289 -2.048 0 C-N-CA 117.998 -1.481 . . . . 0.0 107.11 179.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 83.1 tt0 -63.67 -30.27 71.4 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 63' ' ' GLU . 25.1 mt -90.89 -18.65 24.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.497 -0.752 . . . . 0.0 110.542 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 87.0 m-20 -77.96 43.35 0.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.654 -1.279 . . . . 0.0 108.403 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.5 mt-10 -60.09 -40.59 90.13 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.804 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.08 -18.74 57.8 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.19 33.68 58.93 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.108 -1.997 . . . . 0.0 108.108 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' O ' ' OE2' ' A' ' 68' ' ' GLU . 33.3 p-10 -89.98 -8.99 50.35 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.374 -1.074 . . . . 0.0 111.985 -177.288 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.98 6.85 88.96 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 66' ' ' ASP . 10.0 mp0 -142.31 169.34 17.76 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.28 125.74 68.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' GLU . 83.9 m-20 -90.79 146.48 23.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.438 ' CE2' ' CG ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -42.65 -32.18 0.55 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.238 -0.914 . . . . 0.0 110.52 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.99 -27.48 64.74 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 109.16 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' ASP . 86.5 mt-10 -82.37 -42.76 18.26 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.936 0.874 . . . . 0.0 109.914 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 4.2 t80 -67.82 -49.81 60.23 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.476 -0.765 . . . . 0.0 111.254 -178.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 5.4 p -59.98 -34.2 55.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.269 -0.895 . . . . 0.0 110.591 -177.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.44 -33.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.439 178.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.456 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.2 tm? -69.42 -55.01 11.55 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.606 -0.684 . . . . 0.0 112.001 -177.708 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 35.6 m -60.19 -35.39 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 CA-C-O 122.555 1.169 . . . . 0.0 109.42 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.6 -39.94 92.1 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.797 0.808 . . . . 0.0 110.199 179.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.34 57.92 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -70.95 -39.97 72.29 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 119.36 -2.088 . . . . 0.0 109.899 -177.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.575 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 2.2 t -60.15 -49.81 76.16 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.779 -1.2 . . . . 0.0 110.97 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 13.3 m -60.05 -40.55 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.829 -1.17 . . . . 0.0 109.843 177.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.46 -25.79 68.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.561 -0.712 . . . . 0.0 109.12 -179.657 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.552 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 54.1 t -69.34 -41.36 76.74 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.122 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.74 -40.61 93.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.939 -1.101 . . . . 0.0 108.813 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.42 -39.85 92.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.616 -0.678 . . . . 0.0 109.704 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 64.6 t80 -77.46 -10.42 59.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.483 -0.761 . . . . 0.0 110.006 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 3.5 m-85 -90.85 -20.82 21.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.079 -1.013 . . . . 0.0 109.026 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -89.98 -11.64 41.04 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.333 -0.855 . . . . 0.0 110.046 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 18.9 pt-20 -61.53 -39.96 92.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.977 -1.077 . . . . 0.0 109.552 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -88.24 -0.45 57.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.175 -0.953 . . . . 0.0 109.203 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.376 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.783 0 N-CA-C 119.512 2.565 . . . . 0.0 119.512 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.482 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 76.0 p -83.48 158.13 22.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.122 -1.222 . . . . 0.0 109.697 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -41.74 -57.22 2.4 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.506 -0.746 . . . . 0.0 110.926 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.05 -42.08 85.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 110.945 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.482 ' H ' ' HG ' ' B' ' 2' ' ' SER . 15.2 tm-20 -59.96 -38.15 81.62 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.928 -1.108 . . . . 0.0 109.602 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.436 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -54.48 -48.6 71.62 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 122.003 0.906 . . . . 0.0 110.256 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.04 -26.95 67.75 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.3 ttt -71.13 -48.98 48.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.323 -1.486 . . . . 0.0 110.505 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.561 -0.712 . . . . 0.0 110.457 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -63.7 -56.66 13.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.824 -1.172 . . . . 0.0 109.131 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 8.0 mp -59.38 -39.48 83.47 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.185 -1.572 . . . . 0.0 110.507 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.428 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 72.5 mt -64.08 -39.96 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.474 -1.391 . . . . 0.0 112.125 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.44 -41.98 26.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 119.873 -1.767 . . . . 0.0 112.204 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 9.2 p -61.34 -42.12 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.655 -1.278 . . . . 0.0 109.43 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.47 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 6.1 t80 -60.03 -40.1 88.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.637 -0.665 . . . . 0.0 109.556 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' B' ' 12' ' ' ILE . 29.3 m80 -62.44 -36.54 82.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.672 -1.267 . . . . 0.0 110.03 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.35 -55.51 30.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.198 -0.939 . . . . 0.0 112.902 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -83.02 -40.84 19.41 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.954 -1.091 . . . . 0.0 112.312 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -61.34 -31.01 70.87 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.93 15.19 56.99 Favored Glycine 0 N--CA 1.502 3.076 0 O-C-N 120.517 -1.364 . . . . 0.0 113.139 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.86 -57.58 2.21 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.02 1.91 . . . . 0.0 110.379 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -101.91 23.26 11.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 111.267 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.12 -166.96 23.88 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 118.528 -1.796 . . . . 0.0 111.933 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -58.54 140.49 54.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.9 -0.765 . . . . 0.0 109.308 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -51.35 -49.92 60.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.373 -0.829 . . . . 0.0 111.912 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.82 20.11 18.86 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.789 -1.195 . . . . 0.0 112.101 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -136.68 144.47 43.96 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.525 -1.36 . . . . 0.0 110.655 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 1.6 tp -92.27 117.76 30.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.307 -179.251 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -77.47 159.94 29.03 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 119.754 -1.841 . . . . 0.0 108.511 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -43.07 -38.04 2.2 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.25 -0.906 . . . . 0.0 110.451 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -80.16 -27.8 38.94 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.501 -1.374 . . . . 0.0 110.164 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.06 -40.12 71.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.551 -1.343 . . . . 0.0 110.654 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.448 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 2.9 pp -63.8 -44.09 94.35 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.685 -1.259 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.448 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 73.0 tttt -64.01 -39.98 95.32 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.229 -0.989 . . . . 0.0 111.464 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.95 -40.04 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.733 -1.23 . . . . 0.0 111.115 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.94 -47.61 84.13 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.579 -0.701 . . . . 0.0 110.629 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.0 -49.02 55.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 112.384 -177.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.3 pt20 -65.54 -40.45 92.91 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 98.5 m -48.87 -49.95 37.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.13 -0.981 . . . . 0.0 111.415 -174.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -99.01 -13.23 19.98 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.234 -0.916 . . . . 0.0 110.304 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 51.9 mt -132.32 40.64 3.29 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.5 t -60.09 -50.76 72.45 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.672 0.748 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -81.59 -16.62 51.02 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.64 -0.663 . . . . 0.0 112.206 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.7 t80 -85.64 -92.37 0.09 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.16 -1.588 . . . . 0.0 112.246 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 44' ' ' PHE . 8.1 mp -39.93 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.467 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.3 t0 -93.06 107.89 19.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.328 -2.107 . . . . 0.0 108.634 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.0 m -148.14 -61.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 120.549 -1.344 . . . . 0.0 108.304 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.8 mm100 -70.11 -40.56 74.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.242 -0.911 . . . . 0.0 110.274 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt -69.98 -22.1 63.17 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -139.87 90.51 2.39 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.68 67.22 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.94 -37.36 79.31 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.83 85.43 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.361 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.98 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.163 -1.586 . . . . 0.0 108.147 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.71 -40.14 94.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.622 -0.674 . . . . 0.0 111.742 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.52 -40.13 96.24 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.662 -1.274 . . . . 0.0 110.133 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.08 -41.88 67.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 O-C-N 121.496 -0.752 . . . . 0.0 110.158 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -64.34 -39.93 94.87 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.551 -0.718 . . . . 0.0 111.392 -177.494 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 3.3 ptmt -65.36 -36.76 84.97 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 118.004 -1.478 . . . . 0.0 107.089 179.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 78.0 tt0 -64.71 -27.65 69.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.485 ' C ' ' H ' ' B' ' 63' ' ' GLU . 24.5 mt -92.99 -18.62 22.48 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 86.5 m-20 -77.98 43.11 0.42 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.778 -1.201 . . . . 0.0 108.396 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.485 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.4 mt-10 -60.02 -40.73 90.28 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.582 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -76.85 -18.99 58.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.45 33.52 58.5 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.435 ' O ' ' OE2' ' B' ' 68' ' ' GLU . 32.8 p-10 -89.98 -9.14 49.81 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.417 -1.049 . . . . 0.0 111.987 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.97 7.11 88.8 Favored Glycine 0 N--CA 1.503 3.104 0 N-CA-C 109.666 -1.373 . . . . 0.0 109.666 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 66' ' ' ASP . 9.8 mp0 -142.58 169.3 17.84 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -111.1 125.69 68.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.122 -0.986 . . . . 0.0 109.881 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' B' ' 73' ' ' GLU . 84.5 m-20 -90.72 146.54 23.92 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.433 ' CE2' ' CG ' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -42.58 -32.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 110.582 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.95 -27.56 64.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 119.999 -1.688 . . . . 0.0 109.153 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 70' ' ' ASP . 85.4 mt-10 -82.46 -42.57 18.34 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.843 0.83 . . . . 0.0 109.828 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 4.3 t80 -67.98 -49.67 60.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.452 -0.78 . . . . 0.0 111.262 -178.596 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 5.5 p -60.03 -34.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.232 -0.917 . . . . 0.0 110.648 -177.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -33.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.503 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.2 tm? -69.6 -54.97 11.43 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.627 -0.671 . . . . 0.0 111.917 -177.634 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 35.7 m -60.17 -35.33 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 122.479 1.133 . . . . 0.0 109.405 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.74 -39.94 91.63 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.937 0.875 . . . . 0.0 110.196 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.96 -34.89 57.55 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -71.38 -39.78 71.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 119.254 -2.154 . . . . 0.0 110.045 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.557 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 2.1 t -59.94 -49.84 76.1 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.854 -1.154 . . . . 0.0 110.995 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 14.7 m -59.86 -40.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 120.837 -1.164 . . . . 0.0 109.885 177.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.58 -25.54 68.01 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.467 -0.77 . . . . 0.0 109.164 -179.686 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 52.7 t -69.07 -41.85 77.0 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.969 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.6 -40.38 91.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.839 -1.163 . . . . 0.0 108.894 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.6 -39.85 92.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.488 0.661 . . . . 0.0 109.735 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.519 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 64.6 t80 -77.53 -10.12 59.31 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.414 -0.804 . . . . 0.0 110.014 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.5 m-85 -91.0 -20.86 21.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.036 -1.04 . . . . 0.0 108.985 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -90.02 -11.77 40.55 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.348 -0.845 . . . . 0.0 109.995 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.519 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 19.0 pt-20 -61.28 -40.12 92.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.852 -1.155 . . . . 0.0 109.599 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -88.12 -0.52 57.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.178 -0.951 . . . . 0.0 109.219 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 55.9 m . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.292 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -98.4 126.38 43.91 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.143 -0.973 . . . . 0.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' X' X ' 3' ' ' THR . . . . . 0.566 ' OG1' ' N ' ' X' ' 4' ' ' LYS . 1.7 t -166.31 -142.19 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.055 -1.028 . . . . 0.0 109.016 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.566 ' N ' ' OG1' ' X' ' 3' ' ' THR . 21.0 pttp 38.98 -165.14 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.565 0.697 . . . . 0.0 111.362 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.521 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.7 pt -139.53 127.73 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' X' ' 4' ' ' LYS . 91.6 m-20 -110.9 17.56 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 121.972 0.891 . . . . 0.0 109.086 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.537 ' O ' ' N ' ' X' ' 10' ' ' ILE . 84.6 t90 -64.3 -53.77 43.67 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.973 -1.079 . . . . 0.0 112.35 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.526 HD21 ' H ' ' A' ' 46' ' ' ASP . 3.6 t-20 -51.9 -31.98 30.61 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.313 -2.117 . . . . 0.0 109.215 -178.605 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' X' ' 12' ' ' SER . 68.7 mttm -59.99 -22.94 63.21 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.537 ' N ' ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -49.87 -38.66 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 44.2 tp -75.66 -33.15 60.42 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 176.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.559 ' N ' ' O ' ' X' ' 9' ' ' LYS . 28.0 t . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.051 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 93.3 m . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 49.96 -139.89 0.83 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.508 -0.745 . . . . 0.0 109.477 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 10.0 t -115.76 127.79 55.37 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.318 -0.864 . . . . 0.0 109.972 -179.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.64 -41.08 61.01 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.033 -1.042 . . . . 0.0 110.164 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -153.19 110.82 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.074 -1.016 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -139.11 11.46 2.6 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.567 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 38.8 t90 -58.29 -43.22 87.97 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.643 -0.661 . . . . 0.0 109.744 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -52.75 -30.37 32.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.854 -1.779 . . . . 0.0 107.189 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -56.13 -28.13 56.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.567 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -50.56 -36.99 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 47.5 tp -64.73 -40.03 94.63 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.867 -179.577 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.421 ' H2 ' ' CD ' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.527 4.712 0 N-CA-C 119.879 2.711 . . . . 0.0 119.879 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 m -81.04 154.73 26.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.031 -1.276 . . . . 0.0 109.172 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -46.57 -53.89 10.5 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.437 -0.79 . . . . 0.0 110.514 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.45 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 56.6 tp -66.94 -41.31 87.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.173 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.421 ' CD ' ' H2 ' ' A' ' 1' ' ' GLY . 89.2 tt0 -63.13 -40.34 97.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.333 -0.854 . . . . 0.0 109.468 179.083 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 10' ' ' THR . 30.0 m -48.07 -44.6 31.59 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.111 0.957 . . . . 0.0 109.394 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.39 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.036 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.7 ttt -69.84 -52.46 24.79 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.597 -1.314 . . . . 0.0 111.196 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -67.02 -29.61 69.48 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.141 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -60.56 -55.94 27.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 0.0 110.376 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.457 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 8.4 mp -58.74 -35.91 73.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.7 -1.875 . . . . 0.0 110.255 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.87 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 120.754 -1.216 . . . . 0.0 112.598 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.28 -39.53 25.1 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 119.639 -1.913 . . . . 0.0 112.038 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.426 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 10.6 p -60.0 -42.55 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.479 -1.388 . . . . 0.0 108.794 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.426 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 19.2 t80 -61.71 -40.09 93.83 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.283 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -61.63 -38.44 87.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.597 -1.315 . . . . 0.0 110.67 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.06 -55.74 30.84 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -80.08 -43.45 21.75 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -54.92 -28.21 49.17 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.78 11.21 25.32 Favored Glycine 0 N--CA 1.507 3.367 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.492 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.54 ' C ' ' H ' ' A' ' 23' ' ' GLY . 66.9 mttm -123.18 -74.77 0.61 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 118.986 1.393 . . . . 0.0 108.512 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.32 21.05 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.245 -0.91 . . . . 0.0 111.095 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.54 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 179.81 -165.06 33.35 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 118.441 -1.838 . . . . 0.0 111.953 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -45.35 153.26 0.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.844 0.831 . . . . 0.0 110.608 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -52.22 -54.12 35.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.541 -0.724 . . . . 0.0 112.248 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -131.62 32.61 4.12 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.788 -1.195 . . . . 0.0 111.775 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -133.36 141.91 48.15 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.774 -1.204 . . . . 0.0 108.365 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -99.02 111.65 23.99 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.792 0.806 . . . . 0.0 110.248 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' LYS . 64.0 m -81.33 162.09 23.57 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.064 -1.647 . . . . 0.0 108.882 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.466 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 52.0 tttt -44.89 -30.75 1.05 Allowed 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -82.89 -29.56 29.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.619 -1.301 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.93 -42.14 73.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.801 -1.187 . . . . 0.0 109.745 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 2.3 pp -62.99 -45.73 91.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.006 -1.059 . . . . 0.0 110.236 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.448 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 75.9 tttt -62.06 -39.66 93.16 Favored 'General case' 0 C--O 1.197 -1.697 0 O-C-N 121.017 -1.052 . . . . 0.0 111.805 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 57.1 t0 -72.45 -39.54 67.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.806 -1.184 . . . . 0.0 110.502 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.0 tp -61.15 -50.72 72.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 110.467 -179.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 2.8 mm? -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.003 0.906 . . . . 0.0 110.525 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.529 ' NE2' ' NE2' ' A' ' 48' ' ' GLN . 43.9 tt0 -65.81 -40.86 92.28 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.489 -0.757 . . . . 0.0 112.553 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.403 ' OG1' ' OD1' ' A' ' 35' ' ' ASP . 92.8 m -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.984 -1.073 . . . . 0.0 112.53 -174.041 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -94.5 -12.84 26.87 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.64 -1.287 . . . . 0.0 110.444 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 70.8 mt -131.85 34.09 3.9 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.686 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.523 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -50.92 -59.55 4.02 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 p -75.68 -21.49 57.58 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.615 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.8 t80 -83.24 -104.22 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 O-C-N 119.974 -1.704 . . . . 0.0 110.798 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' A' ' 44' ' ' PHE . 7.1 mp -14.86 147.09 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.77 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.496 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.526 ' H ' HD21 ' X' ' 8' ' ' ASN . 44.5 t0 -91.23 104.16 16.75 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-N 124.912 3.505 . . . . 0.0 108.89 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 1.1 m -140.86 -44.83 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 120.637 -1.29 . . . . 0.0 109.44 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.529 ' NE2' ' NE2' ' A' ' 38' ' ' GLN . 48.2 mt-30 -78.32 -59.27 2.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.687 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.523 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 1.6 mptp? -49.74 -59.53 3.73 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.348 -0.845 . . . . 0.0 108.977 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 53' ' ' ALA . 97.0 m-20 -98.68 84.55 3.16 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 108.965 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.5 -26.37 12.86 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.13 -37.92 86.98 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.14 -38.61 80.09 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.091 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.52 -35.74 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.576 -1.327 . . . . 0.0 108.867 178.679 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.466 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 94.6 m-20 -67.14 -39.96 86.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.174 -0.954 . . . . 0.0 110.766 -177.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.925 -1.11 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.8 mt -67.65 -53.16 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' ASP . 24.6 ttt -60.04 -36.77 78.0 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.498 -0.751 . . . . 0.0 109.075 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.23 -48.86 80.03 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' OE2' ' C ' ' X' ' 12' ' ' SER . 96.0 mt-10 -60.23 -24.28 64.73 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.559 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.4 mt -91.57 -22.03 20.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.772 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.4 m-20 -74.49 44.46 0.21 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.559 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -60.32 -42.06 94.81 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.08 -19.32 58.67 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.88 34.92 51.88 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 107.443 -2.263 . . . . 0.0 107.443 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.413 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 32.4 p-10 -91.87 -8.98 44.96 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.647 -0.913 . . . . 0.0 111.644 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.94 88.13 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -136.2 176.6 8.55 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 t -125.95 127.72 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.761 -1.212 . . . . 0.0 108.697 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.2 t0 -95.97 152.96 18.04 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.502 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 32.0 t80 -48.96 -24.74 1.61 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.664 -0.648 . . . . 0.0 110.078 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -74.48 -26.35 59.96 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.852 -1.155 . . . . 0.0 108.661 178.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ASP . 82.6 mt-10 -85.67 -45.52 11.61 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 109.958 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.32 -50.38 71.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.126 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.9 t -61.1 -38.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 -178.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 46.8 t -59.87 -39.75 80.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 120.817 -1.177 . . . . 0.0 108.721 177.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.1 tm? -63.22 -53.48 52.36 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -55.64 -38.07 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.848 -1.158 . . . . 0.0 109.204 -178.119 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.84 -37.92 89.25 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.389 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.44 -33.31 48.58 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.547 ' CD1' ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -77.12 -39.33 49.79 Favored 'General case' 0 N--CA 1.515 2.783 0 O-C-N 118.835 -2.416 . . . . 0.0 109.37 -179.436 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.547 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 3.2 t -59.73 -43.14 94.33 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.238 -0.914 . . . . 0.0 110.835 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 8.6 m -59.93 -41.86 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' N ' HG21 ' A' ' 83' ' ' VAL . . . -64.88 -28.17 69.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.0 t -67.92 -42.07 81.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.8 -40.62 88.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 108.756 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.39 -34.71 77.25 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.635 -0.666 . . . . 0.0 109.308 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 59.0 t80 -79.62 -9.46 59.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.392 -0.818 . . . . 0.0 110.195 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -94.21 -23.94 17.69 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.942 -1.099 . . . . 0.0 109.735 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -81.59 -11.58 59.08 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.218 -0.926 . . . . 0.0 109.747 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 18.1 pt-20 -70.65 149.68 46.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 108.671 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.1 m120 54.71 30.76 14.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.337 -0.852 . . . . 0.0 109.882 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.102 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.875 0 N-CA-C 119.302 2.481 . . . . 0.0 119.302 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -79.19 154.7 29.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.286 -1.126 . . . . 0.0 109.599 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -46.17 -55.14 7.48 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.497 -0.752 . . . . 0.0 110.377 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 56.4 tp -65.55 -42.0 92.37 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.238 -0.914 . . . . 0.0 109.067 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.04 -40.22 97.06 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.293 -0.88 . . . . 0.0 109.368 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.441 ' O ' ' OG1' ' B' ' 10' ' ' THR . 31.0 m -47.87 -44.52 29.39 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.223 1.011 . . . . 0.0 109.364 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.32 69.12 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.256 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ttt -69.98 -51.91 28.59 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.654 -1.279 . . . . 0.0 111.06 -177.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.29 -2.006 0 O-C-N 121.55 -0.718 . . . . 0.0 110.169 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -60.37 -56.19 24.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 110.487 -179.227 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.458 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 8.6 mp -57.78 -36.5 72.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 119.84 -1.788 . . . . 0.0 110.303 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.58 -39.6 84.28 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 120.97 -1.081 . . . . 0.0 112.688 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.12 -39.69 22.95 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.744 -1.847 . . . . 0.0 112.276 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 10.7 p -59.97 -42.32 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.687 -1.258 . . . . 0.0 108.607 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.446 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 27.1 t80 -61.94 -39.87 93.56 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -61.53 -39.12 89.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.738 -1.227 . . . . 0.0 110.442 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.93 -55.46 34.35 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -80.15 -43.19 22.06 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.022 -1.049 . . . . 0.0 111.515 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.6 t -55.06 -28.69 54.17 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.69 11.62 25.44 Favored Glycine 0 N--CA 1.506 3.311 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.329 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.515 ' C ' ' H ' ' B' ' 23' ' ' GLY . 67.0 mttm -123.26 -74.65 0.61 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.896 1.348 . . . . 0.0 108.534 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.54 20.41 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.064 -1.023 . . . . 0.0 110.947 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.515 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -178.84 -164.02 30.95 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 118.317 -1.896 . . . . 0.0 112.106 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -45.89 152.61 0.35 Allowed 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.605 0.717 . . . . 0.0 110.689 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -51.81 -54.18 31.71 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.476 -0.765 . . . . 0.0 111.91 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -131.13 31.44 4.42 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 120.759 -1.213 . . . . 0.0 112.206 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -132.3 142.12 49.24 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.892 -1.13 . . . . 0.0 108.305 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 tp -99.26 111.4 23.79 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.829 0.823 . . . . 0.0 109.942 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' LYS . 68.5 m -81.07 161.86 23.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.066 -1.646 . . . . 0.0 108.691 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.49 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 55.1 tttt -45.32 -30.13 1.21 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.823 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -82.79 -29.45 29.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.486 -1.383 . . . . 0.0 109.469 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.92 -41.66 74.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.815 -1.178 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 2.4 pp -63.54 -45.36 90.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.172 -0.955 . . . . 0.0 110.036 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.447 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 78.2 tttt -62.51 -39.78 94.62 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 120.851 -1.156 . . . . 0.0 111.782 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.421 ' OD1' ' OG1' ' B' ' 39' ' ' THR . 57.0 t0 -72.05 -38.99 69.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.95 -1.094 . . . . 0.0 110.63 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.8 tp -61.82 -51.76 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.713 0.768 . . . . 0.0 110.348 -178.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.7 mm? -70.18 -40.02 74.92 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.893 0.854 . . . . 0.0 110.385 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.509 ' O ' ' CA ' ' B' ' 42' ' ' SER . 45.0 tt0 -66.86 -40.65 87.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.506 -0.746 . . . . 0.0 112.527 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.421 ' OG1' ' OD1' ' B' ' 35' ' ' ASP . 92.0 m -59.42 -50.53 73.6 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.945 -1.097 . . . . 0.0 112.746 -174.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.45 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 89.2 mt-10 -94.36 -13.58 26.23 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.618 -1.301 . . . . 0.0 110.503 -178.557 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 68.1 mt -131.33 34.44 3.98 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.548 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 0.6 OUTLIER -51.21 -58.55 5.86 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.571 0.701 . . . . 0.0 110.648 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -76.59 -19.94 57.32 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' B' ' 44' ' ' PHE . 1.8 t80 -85.25 -90.81 0.1 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.125 -1.609 . . . . 0.0 112.419 -177.352 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' B' ' 44' ' ' PHE . 6.1 mp -38.6 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.035 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 41.5 t0 -90.82 102.82 15.58 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 123.01 2.641 . . . . 0.0 108.522 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 1.4 m -139.88 -44.57 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.842 -1.161 . . . . 0.0 109.213 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.492 ' NE2' ' NE2' ' B' ' 38' ' ' GLN . 46.0 mt-30 -79.07 -59.87 2.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.255 -0.903 . . . . 0.0 109.732 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.548 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.1 mptp? -49.63 -59.56 3.67 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.379 -0.826 . . . . 0.0 108.852 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -98.09 86.54 3.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.942 . . . . 0.0 108.952 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.9 -26.95 27.51 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.22 -38.95 88.46 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -58.21 -40.02 80.51 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.978 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.93 -35.43 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.341 -1.474 . . . . 0.0 108.962 179.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.49 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 94.4 m-20 -67.25 -39.8 86.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.25 -0.906 . . . . 0.0 110.965 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.85 -39.62 76.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.826 -1.171 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.0 mt -68.29 -53.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 110.394 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.469 ' O ' ' N ' ' B' ' 62' ' ' ASP . 24.4 ttt -60.07 -36.59 77.71 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -58.9 -48.99 79.48 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.9 -22.67 64.55 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.26 -0.9 . . . . 0.0 108.696 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.574 ' C ' ' H ' ' B' ' 63' ' ' GLU . 28.0 mt -92.38 -23.01 19.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.464 -0.772 . . . . 0.0 109.516 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -73.55 43.35 0.14 Allowed 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.574 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -59.89 -41.83 92.48 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.834 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -75.89 -19.73 58.6 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.47 35.4 52.1 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.43 ' N ' ' OD1' ' B' ' 66' ' ' ASP . 33.4 p-10 -91.42 -9.53 44.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.561 -0.964 . . . . 0.0 111.546 -177.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.16 7.47 88.44 Favored Glycine 0 N--CA 1.497 2.717 0 N-CA-C 109.954 -1.259 . . . . 0.0 109.954 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -136.85 176.67 8.49 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -126.09 127.5 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 108.855 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 43.6 t0 -96.05 152.81 18.19 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.867 0.841 . . . . 0.0 108.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.519 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 29.5 t80 -48.71 -25.08 1.62 Allowed 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.573 -0.705 . . . . 0.0 110.258 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -75.2 -25.03 57.9 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.761 -1.212 . . . . 0.0 108.54 178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.3 mt-10 -86.17 -46.02 10.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.011 0.91 . . . . 0.0 109.727 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.41 -51.19 69.76 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.141 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 56.0 t -60.56 -38.12 77.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.289 -0.882 . . . . 0.0 110.012 -178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.4 t -60.17 -39.44 80.59 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.821 -1.174 . . . . 0.0 109.184 177.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.2 tm? -63.37 -54.03 43.29 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.244 -0.91 . . . . 0.0 112.395 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -54.9 -39.03 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.948 -1.095 . . . . 0.0 109.499 -178.276 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.38 -38.66 91.8 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.071 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.19 -34.0 56.26 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -76.89 -38.88 52.76 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.811 -2.43 . . . . 0.0 109.743 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.551 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 3.4 t -60.07 -42.0 93.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.469 -0.769 . . . . 0.0 110.85 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 12.8 m -60.78 -42.19 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.416 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.43 -29.11 70.17 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.76 -41.55 87.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.558 -0.714 . . . . 0.0 109.763 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.24 -40.38 90.06 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.187 -0.946 . . . . 0.0 108.833 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.0 -34.77 78.27 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.642 0.734 . . . . 0.0 109.299 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 56.8 t80 -79.08 -10.06 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.368 -0.832 . . . . 0.0 110.294 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -93.8 -24.33 17.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.951 -1.093 . . . . 0.0 109.75 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -81.72 -10.13 59.45 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.15 -0.969 . . . . 0.0 109.735 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 17.5 pt-20 -71.7 149.62 45.3 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 33.1 m120 54.37 31.48 14.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.324 -0.86 . . . . 0.0 109.826 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.053 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.734 ' HG1' ' H ' ' X' ' 2' ' ' ARG . 44.8 p . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.734 ' H ' ' HG1' ' X' ' 1' ' ' THR . 72.8 mmt-85 -63.92 -42.24 97.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 0.0 109.623 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 28.8 p -144.16 -44.44 0.26 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.919 . . . . 0.0 108.819 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' X' ' 1' ' ' THR . 0.0 OUTLIER -76.66 160.2 29.58 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' X' ' 7' ' ' TRP . 43.2 pt -79.11 -31.61 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.392 -0.817 . . . . 0.0 111.539 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 4.7 p-10 41.99 17.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.115 -0.99 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.554 ' N ' ' O ' ' X' ' 5' ' ' ILE . 31.9 t90 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.566 -1.334 . . . . 0.0 109.98 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.477 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.26 -29.88 16.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.458 -1.402 . . . . 0.0 108.629 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.433 ' O ' ' OXT' ' X' ' 12' ' ' SER . 73.6 tttt -60.0 -30.23 69.0 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.523 ' N ' ' O ' ' X' ' 7' ' ' TRP . 9.4 tt -49.01 -38.44 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 30.9 tp -67.84 -42.02 82.06 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.296 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.433 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 8.9 t . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.478 ' H1 ' ' HG1' ' Y' ' 1' ' ' THR . 27.7 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.407 ' H ' ' H2 ' ' Y' ' 1' ' ' THR . 79.6 mmt-85 52.77 -165.95 0.07 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.41 -0.806 . . . . 0.0 109.656 179.375 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 32.5 p -137.69 128.88 27.67 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 18.9 pttt -61.52 -51.76 67.3 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.048 -1.033 . . . . 0.0 110.603 -179.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.447 HD12 ' HZ3' ' B' ' 49' ' ' LYS . 0.2 OUTLIER -145.13 128.98 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.603 -1.311 . . . . 0.0 108.208 179.273 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -139.76 18.54 2.5 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.529 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 2.0 p-90 -60.49 -43.51 96.92 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.269 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 19.8 t30 -51.37 -39.69 57.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 119.726 -1.859 . . . . 0.0 108.894 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.457 ' NZ ' ' HZ3' ' B' ' 56' ' ' LYS . 31.0 mttm -60.2 -22.96 63.61 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.529 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -52.55 -36.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.441 ' N ' HG23 ' Y' ' 10' ' ' ILE . 47.6 tp -66.39 -40.07 89.43 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.575 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.765 -179.437 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.801 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.465 ' HG ' ' N ' ' A' ' 3' ' ' GLU . 45.1 t -74.26 157.19 36.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.249 -1.148 . . . . 0.0 109.379 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.465 ' N ' ' HG ' ' A' ' 2' ' ' SER . 98.0 mt-10 -45.48 -51.81 11.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.171 -0.956 . . . . 0.0 110.817 -178.304 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.73 -40.21 80.0 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.914 -1.116 . . . . 0.0 108.957 -179.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.18 -39.32 86.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -0.977 . . . . 0.0 108.999 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 10' ' ' THR . 79.2 m -56.29 -49.52 74.03 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.89 0.852 . . . . 0.0 110.177 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -28.35 69.25 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.019 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -70.12 -50.09 44.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.676 -1.265 . . . . 0.0 110.364 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.9 -28.29 65.5 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.499 -0.75 . . . . 0.0 110.239 -177.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.39 -59.85 4.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.997 -1.064 . . . . 0.0 108.942 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -47.19 -39.46 13.97 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.328 -1.483 . . . . 0.0 109.289 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.404 HG22 HD12 ' A' ' 12' ' ' ILE . 80.6 mt -69.14 -24.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.229 -0.919 . . . . 0.0 110.406 179.676 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 10' ' ' THR . 95.5 m-20 -79.58 -54.21 6.11 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.003 -1.061 . . . . 0.0 112.588 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.44 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 9.2 p -65.87 -46.49 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.474 ' C ' ' CD1' ' A' ' 15' ' ' PHE . 1.8 t80 -60.62 -40.15 90.82 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 121.352 -0.842 . . . . 0.0 109.835 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.576 -1.327 . . . . 0.0 109.722 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.01 -56.8 17.39 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.32 -40.18 64.68 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.926 -1.109 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 p -67.67 -22.89 65.27 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.33 0.93 40.27 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.694 -1.254 . . . . 0.0 112.359 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.613 ' C ' ' H ' ' A' ' 23' ' ' GLY . 56.1 mtmt -124.4 -67.0 0.94 Allowed 'General case' 0 N--CA 1.502 2.125 0 CA-C-N 119.052 1.426 . . . . 0.0 109.407 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.2 17.73 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.116 -0.99 . . . . 0.0 109.96 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.613 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 178.39 -172.73 45.18 Favored Glycine 0 N--CA 1.487 2.07 0 C-N-CA 119.081 -1.533 . . . . 0.0 111.449 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 39.8 t0 -38.78 154.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 69.8 mttt -59.95 -48.12 83.01 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 113.052 -176.368 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -122.71 29.75 6.73 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 120.289 -1.507 . . . . 0.0 111.939 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -139.64 147.96 41.77 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.625 -1.297 . . . . 0.0 110.153 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 3.4 tp -92.85 153.98 18.51 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.846 -179.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.532 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.8 t -128.38 156.21 43.49 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' SER . 23.4 tptm -43.17 -35.45 1.38 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.669 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -83.29 -27.2 29.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.083 -1.636 . . . . 0.0 110.697 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.532 ' HB2' ' H ' ' A' ' 29' ' ' SER . 52.4 mt-10 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.828 -1.17 . . . . 0.0 110.059 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -62.09 -43.26 99.22 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.775 -1.203 . . . . 0.0 108.837 178.464 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HZ1' ' CB ' ' A' ' 48' ' ' GLN . 5.2 tmtt? -57.65 -45.1 85.93 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.93 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.458 ' O ' ' OG1' ' A' ' 39' ' ' THR . 84.9 m-20 -76.53 -28.88 56.51 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.905 -1.122 . . . . 0.0 110.922 -179.398 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.26 -50.11 73.01 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.774 -1.203 . . . . 0.0 110.141 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.445 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 10.8 mp -77.45 -40.64 42.57 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.162 0.982 . . . . 0.0 111.864 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -67.74 -40.0 84.18 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 122.042 0.925 . . . . 0.0 110.072 -177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 78.5 m -60.38 -49.96 75.5 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.271 -177.221 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -101.58 -21.25 14.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.201 -0.937 . . . . 0.0 111.972 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 89.5 mt -133.62 64.16 1.61 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.864 -1.148 . . . . 0.0 110.44 -179.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 p -74.21 -42.56 59.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.282 -0.886 . . . . 0.0 109.911 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -70.76 -41.58 71.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.3 -0.875 . . . . 0.0 112.016 -178.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.598 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 t80 -88.18 -107.47 0.07 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.555 -1.341 . . . . 0.0 111.09 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.598 ' C ' ' O ' ' A' ' 44' ' ' PHE . 3.2 mm? -7.13 128.49 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.542 0 CA-C-O 114.834 -2.508 . . . . 0.0 108.853 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.539 ' OD2' ' N ' ' X' ' 7' ' ' TRP . 1.3 m-20 -91.3 118.73 30.75 Favored 'General case' 0 N--CA 1.517 2.919 1 CA-C-N 128.002 4.91 . . . . 0.0 110.051 178.239 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 10.7 m -146.37 -41.2 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.315 179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.45 ' CB ' ' HZ1' ' A' ' 34' ' ' LYS . 17.2 pt20 -98.39 -40.33 8.35 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.049 -1.032 . . . . 0.0 111.433 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.7 mtmt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.227 -0.921 . . . . 0.0 109.245 -179.259 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -139.72 86.67 2.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.602 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -30.06 39.44 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -40.1 88.21 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.12 -41.22 96.32 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 118.806 -1.157 . . . . 0.0 109.598 -178.01 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -36.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.862 -1.149 . . . . 0.0 109.209 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -68.83 -40.02 79.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.023 -1.048 . . . . 0.0 111.272 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.95 -40.12 91.06 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.471 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.7 -53.52 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.562 -0.711 . . . . 0.0 111.274 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.97 81.76 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 110.964 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.9 90.65 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -65.5 -26.92 68.12 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.5 mt -85.27 -33.1 22.23 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.372 -0.83 . . . . 0.0 109.567 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -69.96 57.88 0.15 Allowed 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' LEU . 45.7 mt-10 -60.13 -39.72 87.28 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -70.41 -23.79 62.81 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.79 40.97 7.41 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.464 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 33.3 p-10 -99.02 -122.08 0.14 Allowed 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.635 1.217 . . . . 0.0 108.167 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.464 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -157.16 21.48 0.43 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -136.22 176.56 8.58 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.78 137.54 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.528 -1.358 . . . . 0.0 108.917 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 34.3 t0 -97.6 167.99 10.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.364 -0.835 . . . . 0.0 109.734 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.601 ' CE2' ' ND2' ' B' ' 86' ' ' ASN . 43.2 t80 -59.94 -35.48 75.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.595 -0.69 . . . . 0.0 109.414 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -70.04 -24.22 63.23 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.861 -1.15 . . . . 0.0 109.904 179.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' OE2' ' O ' ' A' ' 61' ' ' LEU . 49.1 mt-10 -83.59 -53.63 5.52 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.552 -0.718 . . . . 0.0 110.574 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -32.47 65.98 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.191 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 71' ' ' PHE . 54.9 t -60.04 -39.7 81.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 120.98 -1.075 . . . . 0.0 108.558 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.1 t -59.79 -40.08 81.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.412 178.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.2 tm? -62.49 -50.03 73.05 Favored 'General case' 0 N--CA 1.509 2.485 0 O-C-N 121.507 -0.746 . . . . 0.0 112.862 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 m -59.95 -32.92 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 120.176 -1.578 . . . . 0.0 109.853 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.89 -39.34 79.79 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.766 0.793 . . . . 0.0 110.022 178.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.49 -23.92 56.84 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.243 -0.91 . . . . 0.0 112.767 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.41 -41.56 16.55 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 119.812 -1.805 . . . . 0.0 109.977 -179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -52.91 -47.18 68.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.756 -1.215 . . . . 0.0 109.178 178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.408 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 13.8 m -59.89 -40.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.208 -0.933 . . . . 0.0 110.051 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.23 -25.57 65.74 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -69.94 -38.83 76.3 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 108.945 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.567 ' ND2' ' CE2' ' B' ' 71' ' ' PHE . 66.4 m-20 -59.93 -36.3 76.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -59.99 -38.93 84.01 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.65 36.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.348 -0.845 . . . . 0.0 109.224 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.512 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 62.2 t80 -79.53 -10.96 59.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.938 -1.101 . . . . 0.0 109.193 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -58.77 -24.78 62.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.946 . . . . 0.0 108.475 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -59.87 -38.56 82.53 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 93' ' ' SER . 35.7 m120 -78.91 -4.33 49.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.385 -0.822 . . . . 0.0 109.479 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 92' ' ' ASN . 8.9 t . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.09 -0.957 . . . . 0.0 109.447 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.928 0 N-CA-C 119.511 2.564 . . . . 0.0 119.511 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t -74.09 157.27 36.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.209 -1.171 . . . . 0.0 109.342 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -45.86 -51.57 12.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.7 tt -68.74 -40.03 80.05 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.898 -1.126 . . . . 0.0 109.066 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.16 -39.35 86.08 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.095 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 10' ' ' THR . 82.9 m -56.24 -49.45 74.13 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.804 0.811 . . . . 0.0 110.166 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.2 69.13 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.135 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.33 -50.23 41.29 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.661 -1.274 . . . . 0.0 110.498 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.84 -28.52 65.75 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.15 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -62.05 -59.99 4.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.996 -1.065 . . . . 0.0 109.076 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' B' ' 10' ' ' THR . 9.1 mp -47.09 -39.71 13.77 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.185 -1.572 . . . . 0.0 109.295 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 12' ' ' ILE . 81.9 mt -68.97 -24.87 28.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.193 -0.942 . . . . 0.0 110.497 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 10' ' ' THR . 95.4 m-20 -79.63 -54.1 6.21 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.971 -1.08 . . . . 0.0 112.575 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 7.1 p -65.78 -46.54 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.411 -0.806 . . . . 0.0 110.914 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.478 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 1.6 t80 -60.69 -40.1 90.92 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.418 -0.801 . . . . 0.0 109.94 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.18 -39.65 87.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.478 -1.389 . . . . 0.0 109.672 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.0 14.76 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.13 -40.56 64.82 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.889 -1.132 . . . . 0.0 110.783 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.0 p -67.21 -22.96 65.69 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.31 0.91 40.33 Favored Glycine 0 N--CA 1.506 3.347 0 O-C-N 120.773 -1.204 . . . . 0.0 112.38 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.586 ' C ' ' H ' ' B' ' 23' ' ' GLY . 55.6 mtmt -124.41 -67.0 0.94 Allowed 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 119.087 1.444 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.96 17.25 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.119 -0.988 . . . . 0.0 109.919 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.586 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 178.73 -172.54 44.85 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.153 -1.499 . . . . 0.0 111.459 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 40.0 t0 -38.99 154.5 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.271 0.558 . . . . 0.0 109.733 -179.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.537 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 69.5 mttt -59.9 -48.11 83.04 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 113.037 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.59 29.53 6.86 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.226 -1.546 . . . . 0.0 112.078 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -139.4 147.48 41.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.593 -1.317 . . . . 0.0 110.184 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 3.2 tp -92.31 154.0 18.86 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.86 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.514 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.2 t -128.44 156.19 43.59 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -43.11 -35.43 1.33 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.063 -1.023 . . . . 0.0 111.767 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -83.06 -27.57 30.17 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.109 -1.619 . . . . 0.0 110.727 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.514 ' HB2' ' H ' ' B' ' 29' ' ' SER . 53.0 mt-10 -70.87 -40.35 72.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.736 -1.228 . . . . 0.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -62.34 -42.92 99.78 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.712 -1.243 . . . . 0.0 108.939 178.45 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 4.1 tmtt? -57.32 -45.51 84.16 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.862 -176.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.45 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.1 m-20 -76.42 -28.93 56.82 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.922 -1.111 . . . . 0.0 110.98 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.27 -49.97 73.56 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.813 -1.18 . . . . 0.0 110.141 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.445 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 10.9 mp -77.6 -40.65 41.36 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.114 0.959 . . . . 0.0 111.822 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -67.69 -40.02 84.39 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 122.179 0.99 . . . . 0.0 110.083 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 73.9 m -60.53 -49.86 75.86 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.684 -0.806 . . . . 0.0 111.253 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -101.55 -21.03 14.83 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.132 -0.98 . . . . 0.0 111.983 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -133.76 63.95 1.62 Allowed 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.786 -1.196 . . . . 0.0 110.454 -179.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.5 p -74.04 -42.4 60.32 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.204 -0.935 . . . . 0.0 109.937 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.3 p -71.23 -40.62 70.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.117 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.5 t80 -89.4 -94.5 0.11 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.796 -1.19 . . . . 0.0 112.232 -178.062 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.573 ' C ' ' O ' ' B' ' 44' ' ' PHE . 2.5 mm? -29.84 136.17 0.04 OUTLIER 'General case' 0 N--CA 1.52 3.038 0 CA-C-O 116.898 -1.525 . . . . 0.0 107.615 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 2.7 m-20 -91.24 117.68 29.84 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 124.894 3.497 . . . . 0.0 109.661 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 11.1 m -146.87 -40.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.104 -0.997 . . . . 0.0 110.149 179.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 17.2 pt20 -98.46 -40.23 8.37 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.02 -1.05 . . . . 0.0 111.432 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.447 ' HZ3' HD12 ' Y' ' 5' ' ' ILE . 51.2 mtmt -62.18 -27.41 68.95 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 109.197 -179.072 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -139.7 86.79 2.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -29.94 38.96 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.97 -39.85 87.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.86 -42.81 98.6 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 118.866 -1.134 . . . . 0.0 109.121 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -36.01 64.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 120.761 -1.212 . . . . 0.0 109.384 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -68.84 -40.03 79.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.876 -1.14 . . . . 0.0 111.257 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.457 ' HZ3' ' NZ ' ' Y' ' 9' ' ' LYS . 62.4 mttp -66.02 -39.99 90.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.929 -1.107 . . . . 0.0 110.536 -178.798 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.95 -53.39 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.6 -0.688 . . . . 0.0 111.098 -179.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.905 -1.122 . . . . 0.0 111.051 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.67 90.3 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -66.58 -24.49 66.35 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.554 ' O ' ' N ' ' B' ' 63' ' ' GLU . 49.4 mt -87.15 -33.18 19.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -69.91 57.73 0.15 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.554 ' N ' ' O ' ' B' ' 61' ' ' LEU . 45.4 mt-10 -59.8 -40.01 86.89 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -70.29 -24.02 62.96 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.07 40.87 7.32 Favored Glycine 0 N--CA 1.482 1.756 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.461 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 33.5 p-10 -99.06 -122.46 0.15 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 118.603 1.202 . . . . 0.0 108.21 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.461 ' H ' ' CG ' ' B' ' 66' ' ' ASP . . . -156.74 21.64 0.46 Allowed Glycine 0 N--CA 1.498 2.82 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.24 176.53 8.61 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.46 137.85 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.489 -1.382 . . . . 0.0 108.964 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 33.7 t0 -97.86 167.92 10.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 109.68 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.567 ' CE2' ' ND2' ' A' ' 86' ' ' ASN . 43.3 t80 -59.97 -35.42 74.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.478 -0.764 . . . . 0.0 109.452 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.9 tt0 -70.07 -24.19 63.2 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.941 -1.099 . . . . 0.0 109.854 179.331 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.418 ' OE2' ' O ' ' B' ' 61' ' ' LEU . 49.2 mt-10 -83.68 -53.83 5.36 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.503 -0.748 . . . . 0.0 110.396 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -32.4 66.01 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.091 -1.005 . . . . 0.0 111.187 -178.198 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.493 ' CG2' ' O ' ' B' ' 71' ' ' PHE . 54.3 t -59.79 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 121.042 -1.036 . . . . 0.0 108.445 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.0 t -59.8 -39.9 81.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 C-N-CA 119.041 -1.063 . . . . 0.0 108.403 178.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.2 tm? -62.42 -50.11 72.79 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 121.481 -0.762 . . . . 0.0 112.937 -178.457 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.0 -33.1 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.231 -1.543 . . . . 0.0 109.779 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.0 -39.3 79.41 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.719 0.771 . . . . 0.0 110.056 178.01 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -75.29 -23.83 57.43 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 112.653 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -85.04 -41.19 16.01 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 119.838 -1.789 . . . . 0.0 109.839 -179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -52.93 -46.98 68.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.644 -1.285 . . . . 0.0 109.161 178.111 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 13.4 m -60.05 -40.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.163 -0.96 . . . . 0.0 110.234 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.28 -25.54 65.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 108.922 -179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.37 -38.52 74.76 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.659 -0.817 . . . . 0.0 108.963 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' A' ' 71' ' ' PHE . 66.4 m-20 -59.77 -36.21 76.21 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.01 -38.88 83.96 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.52 36.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.509 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 63.8 t80 -79.67 -10.97 59.87 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.946 -1.096 . . . . 0.0 109.125 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -58.89 -24.62 62.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 108.466 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -60.03 -38.44 82.72 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' B' ' 93' ' ' SER . 35.8 m120 -78.98 -4.25 49.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.433 -0.792 . . . . 0.0 109.467 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.428 ' O ' ' O ' ' B' ' 92' ' ' ASN . 8.7 t . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.322 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.424 ' O ' ' OG1' ' X' ' 1' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.424 ' O ' ' OG1' ' X' ' 3' ' ' THR . 95.3 mtt-85 -138.06 159.08 42.96 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.459 -0.776 . . . . 0.0 109.353 -179.746 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 3' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' X' ' 2' ' ' ARG . 43.2 p 51.02 44.39 28.6 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.311 -0.868 . . . . 0.0 109.177 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 38.9 pttt -102.71 1.82 34.94 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.325 0.583 . . . . 0.0 109.483 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.43 ' O ' ' ND2' ' X' ' 8' ' ' ASN . 14.6 tt -133.11 73.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 CA-C-O 122.027 0.918 . . . . 0.0 108.65 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -90.71 1.03 57.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.589 -1.32 . . . . 0.0 108.415 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.562 ' CZ3' ' CZ ' ' A' ' 44' ' ' PHE . 62.5 t90 -59.93 -50.05 75.27 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.574 -0.704 . . . . 0.0 110.357 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' X' ' 5' ' ' ILE . 6.6 p30 -51.29 -37.31 46.71 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.017 -1.677 . . . . 0.0 108.73 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' X' ' 12' ' ' SER . 50.7 tttp -59.06 -24.2 62.68 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.521 ' N ' ' O ' ' X' ' 7' ' ' TRP . 10.0 tt -51.12 -35.52 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.41 ' N ' HG22 ' X' ' 10' ' ' ILE . 21.2 tp -66.96 -40.03 87.4 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.471 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.43 ' N ' ' O ' ' X' ' 9' ' ' LYS . 6.4 t . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 118.132 -0.937 . . . . 0.0 109.338 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -80.06 160.01 25.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.112 -0.993 . . . . 0.0 110.019 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -80.05 135.74 36.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.354 -0.841 . . . . 0.0 109.843 -179.57 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -153.2 -20.09 0.15 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -0.818 . . . . 0.0 109.076 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 8.1 tt -137.56 111.46 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.582 -0.699 . . . . 0.0 109.449 -179.665 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -129.09 4.14 5.28 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.576 ' CZ3' ' CZ ' ' B' ' 44' ' ' PHE . 65.9 t90 -59.95 -50.0 75.45 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.138 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -51.1 -38.01 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 119.917 -1.739 . . . . 0.0 108.647 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -58.19 -23.21 54.71 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.556 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -53.47 -38.79 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.426 ' N ' HG22 ' Y' ' 10' ' ' ILE . 30.2 tp -62.09 -43.43 98.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.501 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.585 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.815 0 N-CA-C 119.481 2.552 . . . . 0.0 119.481 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -65.05 32.72 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.18 -1.188 . . . . 0.0 110.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.585 ' H ' ' C ' ' A' ' 1' ' ' GLY . 81.3 mt-10 -59.93 -43.55 94.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.963 -1.086 . . . . 0.0 109.927 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.98 -46.24 90.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.839 -1.163 . . . . 0.0 108.994 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.64 -39.78 92.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.161 -0.962 . . . . 0.0 109.921 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -54.27 -41.67 69.09 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.025 0.917 . . . . 0.0 109.386 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.97 68.78 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.7 mmm -77.3 -44.33 30.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.265 -1.522 . . . . 0.0 110.104 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -72.31 -29.98 64.35 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.381 -0.824 . . . . 0.0 110.797 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.547 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.5 t -70.29 -54.64 11.81 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.753 -1.217 . . . . 0.0 109.604 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -44.37 -39.77 4.89 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.312 -1.493 . . . . 0.0 107.754 177.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.43 HD13 HG21 ' A' ' 12' ' ' ILE . 69.9 mt -62.65 -38.56 81.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.222 -0.924 . . . . 0.0 109.14 177.568 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.547 ' N ' ' O ' ' A' ' 10' ' ' THR . 28.2 m120 -67.7 -54.13 21.98 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.973 -1.079 . . . . 0.0 112.663 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.516 ' CG2' ' N ' ' A' ' 15' ' ' PHE . 6.1 m -60.7 -49.6 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.776 -1.202 . . . . 0.0 110.611 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.516 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 16.5 m-85 -60.92 -40.03 91.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.25 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 120.397 -1.44 . . . . 0.0 109.823 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -55.13 37.98 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.52 -41.31 21.87 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.812 -1.18 . . . . 0.0 111.668 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' ASP . 54.0 p -60.05 -29.53 68.6 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.01 9.4 43.23 Favored Glycine 0 N--CA 1.506 3.361 0 O-C-N 120.628 -1.295 . . . . 0.0 111.886 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' A' ' 23' ' ' GLY . 96.3 mttt -122.29 -71.5 0.73 Allowed 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 118.799 1.3 . . . . 0.0 109.841 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -70.61 34.15 0.04 OUTLIER 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.855 -1.153 . . . . 0.0 109.536 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 168.45 -171.05 42.51 Favored Glycine 0 N--CA 1.488 2.102 0 C-N-CA 119.509 -1.329 . . . . 0.0 110.799 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 58.5 t0 -39.76 149.26 0.06 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 122.21 -0.582 . . . . 0.0 109.873 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 24.1 pttm -59.26 -38.71 80.76 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 77.3 t80 -134.56 34.29 3.22 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.004 -1.685 . . . . 0.0 111.097 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -142.31 147.94 37.19 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.389 1.09 . . . . 0.0 108.819 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.93 153.82 18.55 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.496 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 16.3 t -129.79 161.82 29.85 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' SER . 53.0 tptt -45.19 -35.29 3.17 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -85.1 -28.03 25.87 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.147 -1.595 . . . . 0.0 111.5 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.5 mt-10 -71.62 -39.94 70.12 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.251 -1.53 . . . . 0.0 110.401 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.0 pp -63.37 -45.79 89.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.999 -1.063 . . . . 0.0 109.942 179.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -60.43 -40.05 89.68 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 59.5 t0 -76.47 -36.8 57.67 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.195 . . . . 0.0 111.809 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.88 -47.76 84.43 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 120.982 -1.073 . . . . 0.0 111.046 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.0 mt -75.78 -40.63 54.85 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.668 ' NE2' ' HG1' ' A' ' 39' ' ' THR . 4.6 pp0? -66.05 -39.61 90.27 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.079 0.943 . . . . 0.0 111.885 -176.712 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.668 ' HG1' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -53.45 -44.23 68.71 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.6 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' B' ' 1' ' ' GLY . 92.9 mt-10 -102.25 -21.32 14.37 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.391 -0.818 . . . . 0.0 111.079 -178.382 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.07 67.31 1.5 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.906 -1.121 . . . . 0.0 109.902 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -79.99 -24.27 40.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.182 -0.949 . . . . 0.0 110.025 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -85.05 -28.84 25.4 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.082 -1.011 . . . . 0.0 112.508 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' O ' ' C ' ' A' ' 45' ' ' LEU . 21.6 t80 -109.92 -110.14 0.33 Allowed 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.806 -1.184 . . . . 0.0 112.615 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -4.16 120.46 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.118 0 CA-C-O 115.374 -2.251 . . . . 0.0 109.973 177.481 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 33.9 p-10 -75.67 141.18 42.8 Favored 'General case' 0 N--CA 1.51 2.539 1 CA-C-N 127.94 4.882 . . . . 0.0 112.759 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.424 ' CG1' ' O ' ' A' ' 46' ' ' ASP . 2.6 m -166.85 -53.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 49' ' ' LYS . 96.6 mt-30 -100.37 -71.43 0.7 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.836 -1.165 . . . . 0.0 113.096 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.477 ' C ' ' O ' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -31.83 -60.06 0.26 Allowed 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.114 -177.641 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -99.97 94.62 6.38 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.2 81.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.293 -0.879 . . . . 0.0 109.468 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -59.38 -37.61 78.4 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.69 97.72 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.39 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -34.7 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.493 -1.38 . . . . 0.0 108.503 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 56.0 t0 -60.81 -39.94 90.85 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.537 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -69.61 -40.09 76.84 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.044 -1.035 . . . . 0.0 110.93 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.03 -55.72 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.218 -0.927 . . . . 0.0 110.571 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.05 -36.77 78.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.485 -0.759 . . . . 0.0 109.463 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -60.06 -46.1 90.65 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.02 -23.11 63.43 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.1 mt -92.55 -26.74 17.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 70.2 m-20 -74.92 49.98 0.44 Allowed 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 61' ' ' LEU . 41.1 mt-10 -60.06 -40.77 90.62 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.429 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -74.52 -23.31 58.8 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.79 40.45 14.73 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.886 -2.085 . . . . 0.0 107.886 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -98.73 -7.96 26.84 Favored 'General case' 0 N--CA 1.512 2.626 0 O-C-N 121.495 -1.003 . . . . 0.0 111.924 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.12 7.42 88.47 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 120.883 -1.136 . . . . 0.0 110.473 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -133.55 176.26 8.7 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.13 135.04 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.489 -1.382 . . . . 0.0 108.591 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -95.97 167.22 11.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.969 . . . . 0.0 109.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.503 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 39.2 t80 -59.99 -31.28 69.76 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 -72.48 -25.21 61.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.862 -1.149 . . . . 0.0 110.312 179.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.2 mt-10 -81.04 -52.35 7.5 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.425 -0.797 . . . . 0.0 110.205 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.07 -32.38 61.47 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.714 -178.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.503 ' CG2' ' CE1' ' A' ' 71' ' ' PHE . 43.6 t -57.96 -39.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.2 t -59.98 -40.01 81.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.28 -0.887 . . . . 0.0 109.119 177.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.2 tm? -62.51 -54.12 44.69 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.269 -0.895 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -51.42 -34.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.299 -1.501 . . . . 0.0 108.993 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.12 91.92 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.722 0.772 . . . . 0.0 109.433 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.73 -30.52 51.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 55.2 mt -78.28 -43.04 29.17 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 119.244 -2.16 . . . . 0.0 110.625 -178.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 6.9 t -58.46 -43.27 88.82 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.055 -1.028 . . . . 0.0 110.99 179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.5 m -59.7 -40.1 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.065 -1.022 . . . . 0.0 109.1 178.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.61 -25.7 68.23 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.91 -42.94 47.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.387 -0.821 . . . . 0.0 110.632 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.96 -46.74 88.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.141 -0.974 . . . . 0.0 110.096 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.12 -0.988 . . . . 0.0 109.754 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 67.2 t80 -86.43 -2.64 58.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.387 -0.821 . . . . 0.0 109.791 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -85.24 -29.49 24.6 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -88.38 -10.06 50.59 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.283 -0.886 . . . . 0.0 110.485 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.2 -39.96 94.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.871 -1.143 . . . . 0.0 109.641 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -91.03 -1.62 57.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.061 -1.025 . . . . 0.0 109.428 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.494 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.59 ' C ' ' H ' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.501 2.56 . . . . 0.0 119.501 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -65.19 32.67 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.304 -1.115 . . . . 0.0 110.363 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.59 ' H ' ' C ' ' B' ' 1' ' ' GLY . 81.7 mt-10 -60.04 -43.34 95.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.009 -1.057 . . . . 0.0 109.95 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.08 -46.34 89.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.919 -1.113 . . . . 0.0 108.933 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.55 -39.86 92.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.113 -0.992 . . . . 0.0 109.959 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -54.22 -41.66 68.93 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.097 0.951 . . . . 0.0 109.361 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.44 -29.6 68.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.5 mmm -77.67 -44.11 29.13 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.253 -1.529 . . . . 0.0 110.13 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.55 -29.95 64.01 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.346 -0.846 . . . . 0.0 110.665 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.5 t -70.17 -54.7 11.73 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.812 -1.18 . . . . 0.0 109.643 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.2 mp -44.43 -39.66 4.9 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.529 -1.357 . . . . 0.0 107.692 177.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.81 -38.34 81.53 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 109.124 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 10' ' ' THR . 28.1 m120 -67.82 -54.1 21.7 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.039 -1.038 . . . . 0.0 112.678 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.508 ' CG2' ' N ' ' B' ' 15' ' ' PHE . 6.9 m -60.66 -49.55 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.788 -1.195 . . . . 0.0 110.656 -178.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.508 ' N ' ' CG2' ' B' ' 14' ' ' VAL . 16.8 m-85 -60.91 -40.07 91.75 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.314 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -40.01 87.63 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.382 -1.448 . . . . 0.0 109.845 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -55.05 38.75 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -81.46 -41.37 21.89 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.859 -1.151 . . . . 0.0 111.612 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.0 p -60.04 -29.62 68.64 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.08 9.58 43.11 Favored Glycine 0 N--CA 1.505 3.242 0 O-C-N 120.516 -1.365 . . . . 0.0 111.878 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.568 ' C ' ' H ' ' B' ' 23' ' ' GLY . 96.2 mttt -122.42 -71.57 0.72 Allowed 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 118.761 1.28 . . . . 0.0 109.804 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -70.49 34.05 0.04 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.799 -1.188 . . . . 0.0 109.638 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 168.64 -170.91 42.54 Favored Glycine 0 N--CA 1.488 2.107 0 C-N-CA 119.575 -1.298 . . . . 0.0 110.781 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 58.0 t0 -39.78 149.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 122.156 -0.614 . . . . 0.0 109.808 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 24.7 pttm -59.46 -38.81 81.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 76.5 t80 -134.18 34.06 3.33 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.026 -1.671 . . . . 0.0 111.13 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -142.31 147.75 36.88 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 122.366 1.079 . . . . 0.0 108.868 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.94 153.84 18.53 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.503 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.1 t -129.95 161.87 29.91 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -45.1 -35.34 3.04 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -85.1 -27.97 25.91 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.099 -1.626 . . . . 0.0 111.374 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.503 ' HB2' ' H ' ' B' ' 29' ' ' SER . 48.9 mt-10 -71.6 -39.95 70.15 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.166 -1.584 . . . . 0.0 110.377 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.9 pp -63.43 -45.72 89.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.934 -1.104 . . . . 0.0 109.979 179.304 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 55.2 tttt -60.46 -39.96 89.47 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 59.5 t0 -76.66 -36.72 57.17 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.855 -1.153 . . . . 0.0 111.821 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.05 -47.63 85.08 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 120.849 -1.157 . . . . 0.0 111.013 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.5 mt -75.85 -40.69 54.25 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -177.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' B' ' 39' ' ' THR . 4.6 pp0? -65.9 -39.64 90.8 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.103 0.954 . . . . 0.0 111.846 -176.67 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.5 m -53.6 -44.22 69.23 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.507 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 1' ' ' GLY . 93.0 mt-10 -102.15 -21.36 14.42 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.389 -0.819 . . . . 0.0 111.051 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 mt -135.02 67.1 1.51 Allowed 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.929 -1.107 . . . . 0.0 109.925 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -79.95 -24.25 41.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.268 -0.895 . . . . 0.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 71.1 m -85.21 -28.86 25.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.982 -1.074 . . . . 0.0 112.471 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.576 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.6 t80 -109.91 -95.91 0.41 Allowed 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.519 ' C ' ' O ' ' B' ' 44' ' ' PHE . 0.9 OUTLIER -28.9 128.74 0.08 Allowed 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 117.123 -1.417 . . . . 0.0 109.317 -174.534 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 33.7 p-10 -76.04 139.59 41.51 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 124.965 3.53 . . . . 0.0 112.444 -177.666 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.417 ' CG1' ' O ' ' B' ' 46' ' ' ASP . 2.4 m -166.23 -52.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' B' ' 49' ' ' LYS . 96.6 mt-30 -100.33 -71.64 0.7 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.479 ' C ' ' O ' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -31.75 -60.24 0.25 Allowed 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.645 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -99.76 94.62 6.43 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -38.37 82.51 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.229 -0.919 . . . . 0.0 109.442 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.43 -37.63 78.58 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.36 93.13 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.129 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -34.79 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.525 -1.359 . . . . 0.0 108.575 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 56.5 t0 -60.74 -39.89 90.37 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 121.036 -1.04 . . . . 0.0 109.644 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -69.45 -40.13 77.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 110.975 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.0 -55.71 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.255 -0.903 . . . . 0.0 110.648 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.97 -36.8 77.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.49 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -59.99 -46.62 88.86 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.99 -21.43 61.26 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.542 ' C ' ' H ' ' B' ' 63' ' ' GLU . 49.1 mt -94.36 -26.57 16.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.71 -0.619 . . . . 0.0 110.252 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 71.1 m-20 -75.09 49.92 0.46 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.542 ' H ' ' C ' ' B' ' 61' ' ' LEU . 41.2 mt-10 -60.05 -40.84 90.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.428 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.47 -23.37 58.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.85 40.48 14.49 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.918 -2.073 . . . . 0.0 107.918 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -98.76 -8.08 26.56 Favored 'General case' 0 N--CA 1.511 2.596 0 O-C-N 121.497 -1.002 . . . . 0.0 111.917 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.91 8.11 88.0 Favored Glycine 0 N--CA 1.502 3.042 0 O-C-N 121.008 -1.058 . . . . 0.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -134.11 176.27 8.73 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.18 135.14 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.51 -1.369 . . . . 0.0 108.546 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -95.89 167.2 11.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.514 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 39.2 t80 -59.98 -31.18 69.66 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -72.7 -25.1 61.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.873 -1.142 . . . . 0.0 110.276 179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 76.5 mt-10 -81.24 -52.28 7.5 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.373 -0.829 . . . . 0.0 110.157 -179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -75.04 -32.33 61.53 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.99 -1.084 . . . . 0.0 111.701 -178.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.514 ' CG2' ' CE1' ' B' ' 71' ' ' PHE . 41.9 t -57.95 -39.59 72.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 69.8 t -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.136 177.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.2 tm? -62.63 -54.08 44.91 Favored 'General case' 0 N--CA 1.511 2.6 0 O-C-N 121.318 -0.863 . . . . 0.0 112.43 -178.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -51.36 -34.08 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 120.271 -1.518 . . . . 0.0 109.032 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.36 -39.55 92.46 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.632 0.729 . . . . 0.0 109.356 178.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.64 54.09 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 55.4 mt -78.3 -42.95 29.27 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 119.237 -2.164 . . . . 0.0 110.689 -178.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 6.6 t -58.62 -43.3 89.6 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.993 -1.067 . . . . 0.0 110.961 179.259 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 m -59.59 -39.97 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.086 -1.009 . . . . 0.0 109.204 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.92 -25.59 68.4 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.85 -42.8 48.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.646 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -60.05 -46.76 88.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.059 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.01 -39.99 87.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 67.1 t80 -86.45 -2.73 58.7 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.84 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -85.16 -29.46 24.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.941 . . . . 0.0 109.719 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -88.39 -10.08 50.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.259 -0.9 . . . . 0.0 110.516 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.22 -39.99 94.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.01 -1.056 . . . . 0.0 109.701 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -90.98 -1.65 57.8 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.036 -1.04 . . . . 0.0 109.387 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.496 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 3.0 t . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.541 ' N ' ' OG1' ' X' ' 1' ' ' THR . 88.4 mtm-85 -61.72 -39.91 93.19 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.224 -0.923 . . . . 0.0 110.068 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 70.3 p -148.89 89.85 1.71 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.104 -0.997 . . . . 0.0 108.952 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.434 ' HD3' ' H ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -60.28 -40.1 89.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.171 -0.955 . . . . 0.0 109.565 -179.198 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 tt -159.89 115.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.924 -1.11 . . . . 0.0 110.232 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -129.36 5.84 5.25 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.595 ' O ' ' N ' ' X' ' 10' ' ' ILE . 77.0 t90 -60.1 -49.24 78.43 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.128 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' X' ' 7' ' ' TRP . 49.5 t30 -50.02 -35.46 24.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 119.877 -1.765 . . . . 0.0 108.748 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' X' ' 12' ' ' SER . 7.7 ttmm -59.36 -24.18 63.16 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.595 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.8 tt -51.35 -37.66 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.422 ' N ' HG22 ' X' ' 10' ' ' ILE . 86.1 mt -63.49 -39.36 94.25 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.419 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.4 p . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.544 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 90.5 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.28 0.562 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' Y' ' 3' ' ' THR . 48.0 mmm-85 -99.94 118.47 36.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.321 -0.862 . . . . 0.0 109.394 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . 0.405 ' O ' ' O ' ' Y' ' 2' ' ' ARG . 70.8 p 40.42 92.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.549 -0.719 . . . . 0.0 110.632 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -78.44 146.32 34.57 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.32 -0.863 . . . . 0.0 109.666 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.1 pt -120.38 124.25 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-O 121.506 0.67 . . . . 0.0 109.747 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -105.72 11.22 32.36 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 122.527 1.156 . . . . 0.0 108.427 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.574 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 76.5 t90 -59.93 -48.74 80.47 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.408 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -51.29 -30.95 19.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.242 -1.536 . . . . 0.0 108.94 -179.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' Y' ' 12' ' ' SER . 7.2 ttpm? -59.42 -27.04 65.67 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.574 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 11.5 tt -51.32 -34.23 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.499 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . 0.523 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 5.7 t . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 117.997 -1.002 . . . . 0.0 109.62 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.955 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.579 ' HG ' ' H ' ' A' ' 5' ' ' GLU . 83.6 p -80.06 163.46 24.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.084 -1.245 . . . . 0.0 108.663 179.694 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 42.7 mp0 -56.38 -50.02 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.067 . . . . 0.0 110.002 -177.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.55 -40.29 94.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.045 -1.035 . . . . 0.0 109.036 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.579 ' H ' ' HG ' ' A' ' 2' ' ' SER . 87.7 tt0 -66.37 -35.1 79.47 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.078 -1.014 . . . . 0.0 109.724 -179.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -44.35 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.396 -0.815 . . . . 0.0 110.025 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.62 -29.69 66.14 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -69.98 -48.81 56.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.374 -1.454 . . . . 0.0 110.221 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.9 -31.21 68.88 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.687 -0.633 . . . . 0.0 110.553 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -67.42 -56.68 8.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.777 -1.202 . . . . 0.0 110.063 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.2 mp -46.97 -39.3 12.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.277 -1.515 . . . . 0.0 108.59 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.1 -38.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.516 -0.74 . . . . 0.0 110.88 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -78.51 -43.64 26.4 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 119.967 -1.708 . . . . 0.0 112.587 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' CG2' ' N ' ' A' ' 15' ' ' PHE . 10.7 m -60.03 -42.92 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.497 -1.377 . . . . 0.0 109.486 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.487 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 6.2 t80 -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.889 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.06 -39.27 85.44 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.596 -1.315 . . . . 0.0 109.16 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.81 17.4 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 60.9 m80 -75.2 -46.39 34.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.906 -1.121 . . . . 0.0 111.702 -178.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 24' ' ' ASP . 47.2 t -54.05 -27.98 35.79 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.0 10.57 40.52 Favored Glycine 0 N--CA 1.505 3.253 0 O-C-N 120.857 -1.152 . . . . 0.0 110.561 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.465 ' C ' ' H ' ' A' ' 23' ' ' GLY . 19.8 ttmm -125.07 -78.24 0.6 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -1.123 . . . . 0.0 109.604 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.37 43.36 0.06 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.647 -1.283 . . . . 0.0 109.879 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 177.79 -144.5 6.6 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.304 -1.427 . . . . 0.0 110.795 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' SER . 96.1 m-20 -83.69 169.01 15.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.641 -0.917 . . . . 0.0 109.015 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -56.89 -48.97 76.94 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 111.983 -177.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 37.5 t80 -133.39 36.02 3.41 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 120.62 -1.3 . . . . 0.0 111.614 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -135.66 142.49 45.16 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.4 tp -94.58 100.26 12.26 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 32' ' ' GLU . 43.3 t -69.85 157.91 36.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.744 -1.222 . . . . 0.0 110.014 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.88 -36.73 1.6 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -78.4 -23.48 46.74 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.633 -1.292 . . . . 0.0 109.03 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' SER . 7.5 mm-40 -73.37 -42.44 62.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.003 -1.061 . . . . 0.0 110.615 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 pp -60.59 -43.07 97.79 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.582 -1.324 . . . . 0.0 108.296 179.36 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 71.8 tttt -63.64 -40.15 96.15 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.435 -177.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.63 -40.54 66.35 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.05 -1.031 . . . . 0.0 111.058 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.517 -0.739 . . . . 0.0 110.528 -178.338 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.3 mt -78.04 -43.03 30.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.44 -0.787 . . . . 0.0 113.042 -178.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.556 ' C ' ' H ' ' A' ' 40' ' ' GLU . 9.1 pt20 -69.63 -40.14 76.72 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.287 -0.883 . . . . 0.0 111.741 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.469 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 28.9 m -60.76 11.08 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.753 -0.592 . . . . 0.0 111.811 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.556 ' H ' ' C ' ' A' ' 38' ' ' GLN . 82.6 mt-10 -156.83 -47.34 0.07 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.664 -1.273 . . . . 0.0 110.371 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 24.6 mt -105.03 43.31 1.12 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.567 ' HG ' ' H ' ' A' ' 43' ' ' SER . 85.3 p -60.11 -47.34 86.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.481 0.657 . . . . 0.0 110.697 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.567 ' H ' ' HG ' ' A' ' 42' ' ' SER . 70.8 m -67.58 -39.87 84.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.335 -0.853 . . . . 0.0 111.455 -178.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 45' ' ' LEU . 12.6 t80 -89.25 -102.36 0.09 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.88 -1.137 . . . . 0.0 112.564 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.583 ' C ' ' O ' ' A' ' 44' ' ' PHE . 4.1 mp -12.19 133.86 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.217 0 CA-C-O 115.377 -2.249 . . . . 0.0 109.312 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -88.89 112.54 23.4 Favored 'General case' 0 N--CA 1.522 3.139 1 CA-C-N 127.137 4.517 . . . . 0.0 110.435 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.7 t -135.8 -84.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.359 -0.838 . . . . 0.0 109.841 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -61.93 -40.11 94.36 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.363 0.601 . . . . 0.0 111.635 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 12.3 mtmm -60.56 -28.84 68.76 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -141.22 93.02 2.53 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.22 68.95 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.93 -39.06 84.21 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.13 91.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.167 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -34.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.481 -1.387 . . . . 0.0 109.198 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.68 -40.1 94.81 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.892 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.79 -40.36 76.06 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.07 -1.019 . . . . 0.0 111.06 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.78 -53.79 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.334 -0.854 . . . . 0.0 109.532 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 ttt -60.06 -34.97 74.16 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.32 95.31 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.94 -27.08 68.89 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.395 -0.815 . . . . 0.0 108.967 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 63' ' ' GLU . 46.9 mt -88.47 -29.68 19.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.15 -0.969 . . . . 0.0 110.106 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -68.86 49.01 0.07 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 61' ' ' LEU . 90.3 mt-10 -60.23 -39.6 87.25 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.12 -20.58 63.17 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.24 32.95 Favored Glycine 0 N--CA 1.48 1.585 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 29.1 p-10 -92.08 -126.15 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 66' ' ' ASP . . . -149.35 16.7 1.14 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -138.87 175.83 9.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.654 -1.497 . . . . 0.0 108.347 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -123.93 134.39 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.542 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -98.26 167.2 11.01 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.36 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.542 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 21.9 t80 -59.96 -34.75 73.69 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 109.702 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -69.46 -23.03 63.6 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.621 -1.299 . . . . 0.0 108.873 178.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -85.86 -50.33 7.2 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.755 0.788 . . . . 0.0 110.022 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 62.3 t80 -60.53 -45.16 94.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.404 -179.404 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.0 t -60.64 -40.03 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.033 -1.042 . . . . 0.0 109.393 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 49.1 t -59.41 -39.91 80.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.806 -1.184 . . . . 0.0 109.419 178.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 tm? -66.57 -54.7 20.78 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 121.077 -1.014 . . . . 0.0 112.657 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.4 m -55.12 -31.05 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.364 -1.46 . . . . 0.0 109.258 -179.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.74 -37.38 70.57 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-O 121.566 0.698 . . . . 0.0 109.712 178.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.6 -26.79 45.49 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -176.336 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.567 ' CD1' ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.85 -39.6 26.24 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.412 -2.055 . . . . 0.0 108.99 179.616 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.567 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 3.0 t -59.66 -43.92 93.75 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.844 -1.16 . . . . 0.0 110.966 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 17.9 m -59.99 -44.62 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 120.766 -1.209 . . . . 0.0 110.017 177.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -63.04 -26.71 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.522 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 24.7 t -70.38 -38.66 74.74 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.483 HD22 ' HH ' ' B' ' 26' ' ' TYR . 27.5 t-20 -60.45 -40.56 91.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.409 -0.807 . . . . 0.0 109.083 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.841 . . . . 0.0 110.19 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 58.9 t80 -79.08 -4.58 50.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.292 -0.88 . . . . 0.0 109.766 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 2.9 m-85 -90.68 -1.15 57.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.228 -0.92 . . . . 0.0 109.434 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.03 -40.31 88.88 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.692 -1.255 . . . . 0.0 108.215 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -40.2 94.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.736 -0.603 . . . . 0.0 109.803 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 89' ' ' PHE . 50.9 p30 -93.47 0.79 56.88 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.986 -1.072 . . . . 0.0 109.85 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 89' ' ' PHE . 63.2 m . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.502 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.893 0 N-CA-C 119.337 2.495 . . . . 0.0 119.337 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.524 ' HG ' ' H ' ' B' ' 5' ' ' GLU . 81.4 p -80.06 162.87 24.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.157 -1.202 . . . . 0.0 108.716 179.824 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.483 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 44.2 mp0 -56.19 -50.33 71.53 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.892 -1.13 . . . . 0.0 109.944 -177.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.27 -39.95 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.944 -1.097 . . . . 0.0 108.983 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.524 ' H ' ' HG ' ' B' ' 2' ' ' SER . 87.3 tt0 -66.12 -35.88 81.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 109.555 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.86 -44.0 94.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 110.408 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.15 -30.47 67.63 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -70.18 -48.4 57.39 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.398 -1.439 . . . . 0.0 110.24 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.98 -31.08 68.6 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.699 -0.626 . . . . 0.0 110.532 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.68 -56.93 7.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.052 -179.494 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -46.7 -38.77 10.36 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.457 -1.402 . . . . 0.0 108.707 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.424 HD12 HG21 ' B' ' 12' ' ' ILE . 88.2 mt -67.5 -38.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.416 -0.802 . . . . 0.0 111.134 -179.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -78.09 -44.33 26.52 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.158 -1.589 . . . . 0.0 112.38 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.489 ' CG2' ' N ' ' B' ' 15' ' ' PHE . 10.6 m -59.91 -42.93 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.521 -1.362 . . . . 0.0 109.452 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.489 ' N ' ' CG2' ' B' ' 14' ' ' VAL . 6.2 t80 -63.54 -40.12 96.17 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.977 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -39.38 85.71 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.6 -1.312 . . . . 0.0 109.173 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.71 18.66 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.445 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 62.3 m80 -75.12 -46.73 32.55 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.727 -1.233 . . . . 0.0 111.573 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -53.5 -28.05 28.84 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.29 10.36 39.46 Favored Glycine 0 N--CA 1.506 3.332 0 O-C-N 120.764 -1.21 . . . . 0.0 110.599 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.464 ' C ' ' H ' ' B' ' 23' ' ' GLY . 19.6 ttmm -124.9 -78.35 0.6 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.306 -1.114 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.401 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -70.07 43.06 0.06 Allowed 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.693 -1.254 . . . . 0.0 110.358 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.464 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 177.87 -144.41 6.54 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -83.67 169.58 15.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.572 -0.958 . . . . 0.0 108.947 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.96 -49.17 76.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 111.972 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 37.5 t80 -133.27 35.53 3.46 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.516 -1.365 . . . . 0.0 111.62 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -135.44 142.42 45.58 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.8 tp -94.09 99.64 11.9 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.558 ' O ' ' N ' ' B' ' 32' ' ' GLU . 33.7 t -70.03 158.22 36.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.492 -1.38 . . . . 0.0 110.016 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.89 -37.05 1.7 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.374 -0.829 . . . . 0.0 110.012 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -77.98 -23.27 48.45 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 108.936 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' B' ' 29' ' ' SER . 7.3 mm-40 -73.55 -42.27 61.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.022 -1.049 . . . . 0.0 110.644 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.407 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 3.1 pp -61.13 -42.07 97.87 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.365 -1.459 . . . . 0.0 108.413 179.229 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.407 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 70.5 tttt -64.31 -40.08 95.19 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.105 -177.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.41 ' O ' ' OG1' ' B' ' 39' ' ' THR . 82.7 m-20 -72.23 -40.36 67.82 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.209 -0.932 . . . . 0.0 111.17 -178.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.3 tp -63.39 -41.77 98.79 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.583 -0.698 . . . . 0.0 110.605 -178.136 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 92.6 mt -78.19 -43.26 29.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.548 ' C ' ' H ' ' B' ' 40' ' ' GLU . 10.8 pt20 -69.68 -40.02 76.62 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 121.987 0.898 . . . . 0.0 111.558 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.467 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 31.8 m -60.7 10.76 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.722 -0.611 . . . . 0.0 111.987 -176.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' B' ' 38' ' ' GLN . 82.8 mt-10 -156.61 -47.27 0.07 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.679 -1.263 . . . . 0.0 110.144 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 24.5 mt -105.2 43.47 1.11 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.522 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 96.6 p -60.14 -46.44 89.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.48 0.657 . . . . 0.0 110.606 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.514 ' H ' ' HG ' ' B' ' 42' ' ' SER . 75.5 m -68.4 -39.99 81.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.337 -0.852 . . . . 0.0 111.418 -178.415 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' B' ' 45' ' ' LEU . 14.4 t80 -90.15 -87.98 0.18 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.964 -1.085 . . . . 0.0 113.831 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' B' ' 44' ' ' PHE . 3.5 mp -35.53 141.0 0.09 Allowed 'General case' 0 N--CA 1.514 2.771 0 CA-C-O 117.211 -1.376 . . . . 0.0 107.945 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.7 t0 -88.59 110.88 21.27 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 124.471 3.305 . . . . 0.0 110.02 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 75.0 t -135.48 -83.43 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-O 121.739 0.78 . . . . 0.0 109.891 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -62.26 -40.56 96.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.587 -0.696 . . . . 0.0 111.638 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.2 mtmm -60.36 -28.56 68.28 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -141.63 93.13 2.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.47 -30.88 68.84 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.0 -39.1 84.62 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.14 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.039 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -34.38 56.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 120.247 -1.533 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.63 -40.27 95.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.822 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.78 -40.0 76.31 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.133 -0.979 . . . . 0.0 111.051 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.8 -53.55 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -60.12 -35.39 75.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.358 -0.839 . . . . 0.0 110.455 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -42.94 95.65 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.95 -24.29 67.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 109.398 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.541 ' C ' ' H ' ' B' ' 63' ' ' GLU . 44.3 mt -91.34 -28.79 17.5 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -69.4 48.83 0.08 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.541 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.8 mt-10 -59.94 -39.63 86.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -70.12 -20.21 63.19 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.09 33.12 33.67 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' B' ' 67' ' ' GLY . 29.1 p-10 -92.61 -126.59 0.09 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' B' ' 66' ' ' ASP . . . -148.42 15.64 1.27 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.68 176.47 8.67 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.716 -1.461 . . . . 0.0 108.529 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t -124.35 134.8 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.903 . . . . 0.0 109.03 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.0 t0 -98.59 167.39 10.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.692 0.758 . . . . 0.0 109.623 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.554 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 20.7 t80 -59.8 -35.44 74.68 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.5 -0.75 . . . . 0.0 109.743 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -68.98 -22.75 64.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.595 -1.315 . . . . 0.0 108.853 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -86.11 -50.12 7.25 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.7 0.762 . . . . 0.0 110.097 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -60.42 -45.81 92.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.633 . . . . 0.0 111.482 -179.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.1 t -60.22 -40.1 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.981 -1.074 . . . . 0.0 109.616 -179.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.36 -39.86 80.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.023 -1.048 . . . . 0.0 109.526 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.439 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.4 tm? -66.84 -54.43 22.53 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 112.599 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 27.4 m -55.28 -30.92 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.284 -1.51 . . . . 0.0 109.435 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.27 -36.46 69.02 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-O 121.667 0.746 . . . . 0.0 109.67 178.605 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.79 -27.39 44.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.568 ' CD1' ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -80.7 -39.25 27.44 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.404 -2.06 . . . . 0.0 109.254 179.707 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.568 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 3.2 t -59.92 -43.39 94.93 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.955 -1.091 . . . . 0.0 110.859 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.416 HG23 ' N ' ' B' ' 84' ' ' ALA . 17.8 m -60.28 -45.05 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.966 -1.084 . . . . 0.0 110.037 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.416 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -62.85 -26.71 68.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.534 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 25.6 t -70.17 -38.73 75.5 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.52 -40.45 91.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.446 -0.784 . . . . 0.0 109.075 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -60.3 -40.26 89.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 110.071 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 62.9 t80 -79.03 -4.58 50.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.334 -0.854 . . . . 0.0 109.881 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.534 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.0 m-85 -90.64 -1.05 57.88 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.418 -0.801 . . . . 0.0 109.48 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 32.2 t90 -60.11 -40.88 91.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.833 -1.167 . . . . 0.0 108.164 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.74 -39.93 94.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.635 -0.666 . . . . 0.0 109.801 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 50.3 p30 -93.56 0.86 56.79 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.011 -1.056 . . . . 0.0 109.897 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.472 ' N ' ' O ' ' B' ' 89' ' ' PHE . 63.5 m . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.163 -0.923 . . . . 0.0 109.279 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.454 ' O ' ' O ' ' X' ' 2' ' ' ARG . 7.1 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' X' ' 1' ' ' THR 1.217 28.3 ttt-85 85.85 111.49 0.05 OUTLIER 'General case' 2 N--CA 1.655 9.779 2 C-N-CA 102.789 -7.564 . . . . 0.0 113.527 -179.379 . . . . . . . . 5 3 . 1 . 009 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 16.8 m 53.11 66.47 1.22 Allowed 'General case' 0 N--CA 1.493 1.7 1 CA-C-N 131.582 6.537 . . . . 0.0 110.003 165.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.527 ' H ' ' CD ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -84.06 -26.14 29.29 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.481 -0.762 . . . . 0.0 109.272 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 0.3 OUTLIER -150.72 -73.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.619 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 41.75 19.19 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.166 -0.959 . . . . 0.0 110.469 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' X' ' 5' ' ' ILE . 30.8 t90 -64.71 -50.06 68.41 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.231 -0.918 . . . . 0.0 110.727 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . . . . . . . . . 20.8 t-20 -50.88 -32.68 21.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.49 -1.381 . . . . 0.0 108.669 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -60.05 -28.39 67.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.554 ' N ' ' O ' ' X' ' 7' ' ' TRP . 9.1 tt -51.27 -39.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.42 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 64.0 tp -60.59 -42.68 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.356 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -70.08 -30.01 67.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.132 -0.98 . . . . 0.0 109.62 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.93 117.49 34.27 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.713 0.768 . . . . 0.0 109.725 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.438 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 92.9 mttt -105.26 140.28 38.63 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER 50.61 96.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 122.503 1.144 . . . . 0.0 108.389 -179.443 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -100.12 18.09 19.51 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.399 -1.438 . . . . 0.0 108.806 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.49 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 33.4 t90 -59.97 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.71 -0.619 . . . . 0.0 111.906 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 40.3 t-20 -51.55 -37.23 48.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 119.932 -1.73 . . . . 0.0 108.777 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.38 -25.4 65.85 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.49 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 6.7 tt -51.32 -39.92 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 57.2 tp -66.11 -42.16 89.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.629 178.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.27 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.268 2.467 . . . . 0.0 119.268 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.434 ' OG ' ' OE1' ' B' ' 40' ' ' GLU . 50.7 m -80.0 156.42 27.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -1.165 . . . . 0.0 109.433 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 4' ' ' LEU . 14.5 pt-20 -44.53 -52.71 7.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.374 -0.829 . . . . 0.0 110.525 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 7.3 mt -70.61 -39.97 73.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.007 -1.058 . . . . 0.0 110.095 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -63.67 -30.69 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.09 -1.006 . . . . 0.0 109.228 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -45.68 92.04 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.975 0.893 . . . . 0.0 109.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.05 -29.63 67.81 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.418 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ttt -71.65 -48.66 46.29 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.427 -1.42 . . . . 0.0 110.322 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.96 -34.71 73.76 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.63 -0.669 . . . . 0.0 111.228 -176.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.495 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 4.1 t -66.55 -55.59 14.76 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.914 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.495 ' N ' ' CG2' ' A' ' 10' ' ' THR . 6.9 mp -48.66 -41.82 32.63 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.397 -1.44 . . . . 0.0 109.036 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.85 -39.95 87.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.223 -0.923 . . . . 0.0 111.786 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -77.42 -45.07 26.98 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 119.867 -1.77 . . . . 0.0 112.572 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 8.5 p -60.02 -43.54 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.617 -1.302 . . . . 0.0 110.004 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.433 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 5.4 t80 -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.568 -1.333 . . . . 0.0 110.284 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.94 -56.94 11.06 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -83.27 -39.69 20.52 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.05 -1.031 . . . . 0.0 111.418 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 14.9 m -61.6 -33.48 73.97 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.41 12.64 61.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 120.646 -1.284 . . . . 0.0 111.29 -177.357 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -121.37 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.988 . . . . 0.0 109.161 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -91.74 17.22 9.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.935 -1.103 . . . . 0.0 111.177 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -167.76 -157.05 10.53 Favored Glycine 0 N--CA 1.497 2.738 0 C-N-CA 118.459 -1.829 . . . . 0.0 112.424 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.06 143.6 54.21 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.768 0.795 . . . . 0.0 110.924 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -50.47 -60.04 3.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 112.286 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -105.42 14.9 28.05 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.973 -1.079 . . . . 0.0 112.591 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -137.16 144.59 43.02 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.683 -1.261 . . . . 0.0 109.197 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.475 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 2.4 tp -92.69 170.31 9.82 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.873 0.844 . . . . 0.0 109.99 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.442 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.7 m -131.26 160.81 33.81 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' SER . 6.4 tptp -44.23 -39.84 4.72 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.801 -1.187 . . . . 0.0 111.355 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -78.79 -33.29 46.44 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.037 -1.665 . . . . 0.0 110.891 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.522 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 85.9 mt-10 -71.65 -39.96 70.01 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.208 -1.558 . . . . 0.0 111.204 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 3.5 pp -59.29 -45.66 90.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.483 -1.386 . . . . 0.0 108.806 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.48 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 80.0 tttt -60.01 -39.92 87.47 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.426 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.98 -41.53 92.18 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.042 . . . . 0.0 111.195 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.58 -36.14 79.82 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.948 -1.095 . . . . 0.0 110.341 -179.181 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.8 mp -75.25 -52.09 11.72 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.795 -1.191 . . . . 0.0 111.434 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' A' ' 48' ' ' GLN . 12.9 pt20 -77.48 -18.72 56.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.12 -0.987 . . . . 0.0 113.586 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -54.57 -47.2 73.55 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 117.345 -1.742 . . . . 0.0 108.927 -178.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.444 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 75.5 mm-40 -114.77 -38.34 3.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.341 -0.849 . . . . 0.0 111.459 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 48.7 mt -93.5 40.36 1.07 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.944 -1.098 . . . . 0.0 109.506 -178.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -60.0 -50.06 75.24 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.594 0.712 . . . . 0.0 110.546 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.8 t -81.02 -23.57 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.565 -0.709 . . . . 0.0 111.772 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.629 ' O ' ' O ' ' A' ' 45' ' ' LEU . 3.5 t80 -84.81 -102.61 0.05 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.341 -1.475 . . . . 0.0 110.579 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.629 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mp -13.61 150.11 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.908 0 CA-C-O 117.446 -1.264 . . . . 0.0 110.715 174.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -95.14 102.16 13.95 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 124.126 3.148 . . . . 0.0 109.601 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -146.1 -56.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 O-C-N 120.164 -1.585 . . . . 0.0 109.013 178.174 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 75.7 mm-40 -70.05 -40.47 75.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.958 -1.089 . . . . 0.0 109.97 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.62 -25.11 62.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -135.11 88.42 2.42 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.32 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.97 -38.44 82.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -55.53 -37.58 68.13 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.142 -177.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -39.96 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.195 -1.566 . . . . 0.0 108.186 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.43 -41.53 98.78 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.974 -1.079 . . . . 0.0 111.98 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.83 -39.98 87.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.401 -1.437 . . . . 0.0 109.895 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.0 -53.06 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.422 0.63 . . . . 0.0 111.313 -178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.1 ttt -60.14 -39.96 88.17 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.061 -1.024 . . . . 0.0 111.515 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.53 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 8.6 mmpt? -60.91 -41.05 95.36 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -24.93 64.83 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.574 ' C ' ' H ' ' A' ' 63' ' ' GLU . 25.3 mt -92.27 -25.21 18.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.456 -0.777 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.53 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 86.9 m-20 -72.63 44.83 0.13 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.53 -1.356 . . . . 0.0 107.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.574 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.5 mt-10 -59.93 -40.07 87.66 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.12 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.511 HD22 ' CG ' ' A' ' 66' ' ' ASP . 52.3 p30 -77.27 -12.38 59.94 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 70.89 32.41 66.46 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.511 ' CG ' HD22 ' A' ' 64' ' ' ASN . 48.4 p-10 -93.82 -6.58 45.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.194 -1.18 . . . . 0.0 111.563 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.44 14.95 69.96 Favored Glycine 0 N--CA 1.501 2.993 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -136.42 171.9 13.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.7 t -124.21 126.43 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 O-C-N 120.523 -1.36 . . . . 0.0 110.398 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.5 t0 -93.09 150.49 20.48 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -43.25 -39.76 3.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.192 -177.523 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -61.93 -35.01 77.13 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.317 -1.49 . . . . 0.0 109.365 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.468 ' N ' ' O ' ' A' ' 70' ' ' ASP . 53.9 mt-10 -76.55 -43.63 38.26 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.971 0.891 . . . . 0.0 111.02 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -69.76 -45.53 67.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.353 -0.842 . . . . 0.0 111.439 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 p -63.36 -30.69 50.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 O-C-N 121.424 -0.798 . . . . 0.0 110.566 -178.254 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.17 -33.61 63.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.469 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 tm? -70.24 -55.5 9.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.803 -0.561 . . . . 0.0 111.855 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.3 t -60.03 -44.74 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 122.148 0.975 . . . . 0.0 109.028 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -59.96 -40.51 89.3 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.729 179.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.8 -24.87 59.88 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -83.22 -49.11 9.77 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 119.846 -1.784 . . . . 0.0 109.706 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -48.16 -47.04 35.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.036 -1.04 . . . . 0.0 110.045 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.8 m -60.08 -41.67 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.976 -1.077 . . . . 0.0 109.762 177.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.97 -27.3 66.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.441 -0.787 . . . . 0.0 109.091 -179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.24 -40.97 74.13 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.638 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.06 -40.27 88.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.544 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.33 -40.02 89.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.299 -0.875 . . . . 0.0 110.423 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.01 -7.96 59.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.118 -0.989 . . . . 0.0 109.514 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.2 -20.04 45.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 108.686 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 90' ' ' TRP . 77.7 t90 -77.54 -6.63 54.3 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.62 147.95 52.55 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 55.0 31.53 16.27 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.649 -0.657 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.57 -179.434 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.426 2.531 . . . . 0.0 119.426 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.444 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 50.6 m -79.82 156.28 27.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.208 -1.172 . . . . 0.0 109.51 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 4' ' ' LEU . 14.9 pt-20 -44.41 -52.6 7.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 110.605 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.413 ' N ' ' CG ' ' B' ' 3' ' ' GLU . 7.1 mt -70.74 -40.02 72.99 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.928 -1.108 . . . . 0.0 110.117 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.42 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 44.3 mt-10 -63.55 -30.85 71.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.981 -1.075 . . . . 0.0 109.199 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -45.52 92.49 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.968 0.889 . . . . 0.0 109.736 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.44 67.07 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -71.89 -48.29 46.73 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.412 -1.43 . . . . 0.0 110.21 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.03 -34.55 73.4 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.617 -0.677 . . . . 0.0 111.294 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.494 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 4.1 t -66.74 -55.56 14.45 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.771 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' ' CG2' ' B' ' 10' ' ' THR . 6.8 mp -48.78 -41.76 33.54 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.492 -1.38 . . . . 0.0 108.999 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.92 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.132 -0.98 . . . . 0.0 111.806 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -77.58 -44.83 27.12 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 119.987 -1.696 . . . . 0.0 112.536 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.439 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 8.5 p -60.12 -43.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.552 -1.343 . . . . 0.0 109.997 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.439 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 5.7 t80 -60.02 -39.98 87.74 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.12 -39.97 88.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.632 -1.293 . . . . 0.0 110.241 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -57.04 10.68 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.09 -40.02 20.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.185 -0.947 . . . . 0.0 111.456 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 15.3 m -61.13 -33.72 73.85 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.61 12.59 61.29 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.545 -1.347 . . . . 0.0 111.345 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -121.04 -62.46 1.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.523 -0.986 . . . . 0.0 109.094 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -91.75 16.71 10.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.005 -1.059 . . . . 0.0 111.204 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.531 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -167.5 -156.89 10.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 118.434 -1.841 . . . . 0.0 112.43 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.02 143.46 54.32 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.717 0.77 . . . . 0.0 110.997 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -50.51 -60.0 3.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.69 -0.631 . . . . 0.0 112.3 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -105.1 14.51 29.1 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.929 -1.107 . . . . 0.0 112.541 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.22 144.31 42.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.659 -1.276 . . . . 0.0 109.249 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.475 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 2.5 tp -92.44 170.38 9.81 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.885 0.85 . . . . 0.0 110.074 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.436 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 69.4 m -131.28 160.84 33.75 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -44.26 -39.91 4.82 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 111.327 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -78.73 -33.49 46.65 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.074 -1.641 . . . . 0.0 110.887 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.531 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 85.8 mt-10 -71.35 -40.07 70.91 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.198 -1.564 . . . . 0.0 111.229 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.475 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 3.5 pp -59.38 -45.5 91.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.494 -1.379 . . . . 0.0 108.837 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.475 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 79.6 tttt -59.98 -39.86 87.17 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.32 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.01 -41.73 92.76 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 111.168 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.53 -35.85 78.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.96 -1.088 . . . . 0.0 110.368 -179.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.8 mp -75.37 -52.23 11.27 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.453 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.475 ' OE1' ' NE2' ' B' ' 48' ' ' GLN . 12.8 pt20 -77.26 -18.33 57.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 113.568 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 1.3 t -54.98 -47.2 74.91 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.911 -178.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.434 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 75.5 mm-40 -114.74 -38.19 4.03 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.346 -0.846 . . . . 0.0 111.383 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 50.2 mt -93.43 40.07 1.06 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.957 -1.09 . . . . 0.0 109.595 -178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -59.95 -50.09 75.13 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.563 0.697 . . . . 0.0 110.56 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.6 t -81.1 -22.55 39.06 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.452 -0.78 . . . . 0.0 111.647 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 45' ' ' LEU . 3.6 t80 -86.34 -88.48 0.12 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.316 -1.49 . . . . 0.0 112.485 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.2 mp -38.2 157.49 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -176.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.9 t0 -95.37 101.78 13.54 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 122.101 2.228 . . . . 0.0 109.223 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -146.23 -55.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 120.39 -1.444 . . . . 0.0 108.595 178.195 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.475 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 76.8 mm-40 -70.14 -40.52 74.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 0.0 110.08 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -70.72 -24.84 62.71 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -135.57 88.38 2.4 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.0 -32.0 65.67 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.97 -38.82 83.64 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.82 -39.28 68.34 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 118.628 -1.229 . . . . 0.0 108.913 -177.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -39.96 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.102 -1.624 . . . . 0.0 108.292 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.34 -41.82 98.88 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.97 -1.081 . . . . 0.0 111.944 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.75 -39.97 88.1 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.453 -1.405 . . . . 0.0 109.979 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -69.89 -53.0 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.768 -0.582 . . . . 0.0 111.277 -178.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.414 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.5 ttt -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.015 -1.053 . . . . 0.0 111.623 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.519 ' NZ ' ' OD2' ' B' ' 62' ' ' ASP . 8.7 mmpt? -60.94 -41.29 95.95 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.42 -23.05 64.09 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' B' ' 63' ' ' GLU . 24.6 mt -94.02 -25.0 17.4 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.407 -0.808 . . . . 0.0 110.543 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.519 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 86.7 m-20 -72.76 44.76 0.13 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.511 -1.368 . . . . 0.0 107.749 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.568 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.05 -39.83 87.34 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.089 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.523 HD22 ' CG ' ' B' ' 66' ' ' ASP . 51.7 p30 -77.35 -12.37 59.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 70.7 32.39 67.14 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.523 ' CG ' HD22 ' B' ' 64' ' ' ASN . 48.5 p-10 -93.72 -6.65 45.69 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.303 -1.116 . . . . 0.0 111.485 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.31 70.28 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -136.78 172.27 13.26 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.43 126.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 O-C-N 120.524 -1.36 . . . . 0.0 110.468 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.2 t0 -92.9 150.64 20.45 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.54 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 0.1 OUTLIER -43.43 -39.9 3.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.33 -0.856 . . . . 0.0 110.231 -177.526 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.85 -34.84 76.7 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.348 -1.47 . . . . 0.0 109.4 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' B' ' 70' ' ' ASP . 54.1 mt-10 -76.67 -43.74 36.67 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.963 0.887 . . . . 0.0 111.009 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -69.61 -45.33 68.78 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.398 -0.814 . . . . 0.0 111.515 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.7 p -63.55 -30.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.402 -0.811 . . . . 0.0 110.634 -178.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -64.27 -33.7 64.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.456 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.461 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.3 tm? -70.19 -55.45 9.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.782 -0.574 . . . . 0.0 111.876 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.2 t -60.04 -44.76 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-O 122.159 0.98 . . . . 0.0 109.073 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.48 89.34 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.633 179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.88 -24.91 59.79 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.41 -48.32 10.48 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 119.896 -1.752 . . . . 0.0 109.854 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.0 t -48.7 -47.02 41.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.129 -0.982 . . . . 0.0 109.973 179.221 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m -60.1 -41.72 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.181 -0.949 . . . . 0.0 109.706 177.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -26.9 66.49 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.444 -0.785 . . . . 0.0 109.128 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.8 -40.65 72.41 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.267 -0.896 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.05 -40.49 89.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.23 -40.08 88.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.39 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -81.89 -8.07 59.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.136 -0.978 . . . . 0.0 109.596 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -79.99 -20.05 46.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.964 . . . . 0.0 108.675 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.415 ' O ' ' CG ' ' B' ' 90' ' ' TRP . 77.8 t90 -77.46 -6.61 54.12 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.81 148.11 52.29 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 54.8 31.71 16.11 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 118.058 -0.972 . . . . 0.0 109.486 -179.566 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 30.6 p . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.567 ' C ' ' H ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -124.2 39.11 4.05 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.488 -0.758 . . . . 0.0 109.108 179.537 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 7.6 p -70.37 18.63 0.05 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 109.732 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.567 ' H ' ' C ' ' X' ' 2' ' ' ARG . 1.8 pttm -168.08 169.44 11.12 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.323 -0.86 . . . . 0.0 109.116 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 3.2 pt -108.84 130.11 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -132.56 23.04 4.34 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.173 -0.954 . . . . 0.0 110.452 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.587 ' O ' ' N ' ' X' ' 10' ' ' ILE . 5.8 p-90 -60.01 -38.51 82.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.686 -1.259 . . . . 0.0 109.633 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.4 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -51.15 -32.98 24.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.142 -1.599 . . . . 0.0 108.04 179.359 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' X' ' 12' ' ' SER . 85.3 tttt -62.56 -26.59 68.66 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.587 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -50.01 -38.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.414 ' N ' HG21 ' X' ' 10' ' ' ILE . 65.5 tp -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.471 ' N ' ' O ' ' X' ' 9' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -60.07 -42.19 94.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.196 -0.94 . . . . 0.0 109.677 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m -162.53 126.63 3.08 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.087 -1.008 . . . . 0.0 110.032 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -153.97 165.34 36.45 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.86 . . . . 0.0 109.081 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pt -120.8 137.09 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -137.01 20.77 3.02 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.006 -1.059 . . . . 0.0 110.794 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.553 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 4.9 p-90 -61.28 -38.29 86.21 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.758 -1.214 . . . . 0.0 110.208 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.412 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 0.4 OUTLIER -52.49 -35.72 53.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 119.614 -1.929 . . . . 0.0 107.934 179.628 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.433 ' CE ' ' HZ2' ' B' ' 56' ' ' LYS . 0.4 OUTLIER -59.43 -24.61 63.64 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.524 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.553 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 6.6 tt -51.0 -39.99 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 60.0 tp -69.16 -40.03 78.43 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.601 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.506 ' H3 ' ' CD ' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.867 0 N-CA-C 119.224 2.45 . . . . 0.0 119.224 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -78.86 163.07 25.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -1.157 . . . . 0.0 108.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.565 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -59.99 -46.75 88.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.074 -1.016 . . . . 0.0 110.917 -178.118 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 tt -64.16 -40.03 95.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.479 -1.388 . . . . 0.0 109.005 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.506 ' CD ' ' H3 ' ' A' ' 1' ' ' GLY . 86.3 tt0 -59.92 -39.2 84.65 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.6 m -53.21 -40.07 64.21 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.282 1.039 . . . . 0.0 109.946 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -32.44 71.18 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.7 ppp? -76.5 -45.24 31.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.15 -1.594 . . . . 0.0 110.036 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' N ' ' SD ' ' A' ' 8' ' ' MET . 98.3 mt-10 -68.48 -39.21 81.43 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.309 -0.869 . . . . 0.0 110.618 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.18 -55.79 25.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.84 -1.162 . . . . 0.0 110.805 -178.042 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -48.51 -36.38 15.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.397 -1.439 . . . . 0.0 108.788 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.437 HG22 HD13 ' A' ' 12' ' ' ILE . 81.5 mt -68.14 -39.93 82.1 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 O-C-N 121.259 -0.9 . . . . 0.0 111.386 -179.563 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -80.76 -42.25 22.12 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 119.865 -1.772 . . . . 0.0 113.316 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.479 ' CG2' ' N ' ' A' ' 15' ' ' PHE . 13.3 m -60.0 -41.17 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.35 -1.469 . . . . 0.0 108.922 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.479 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 3.6 t80 -59.91 -38.37 82.13 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -59.96 -37.87 80.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.579 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.15 -57.28 13.29 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 113.187 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.44 -45.34 39.3 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 120.863 -1.148 . . . . 0.0 111.267 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 24' ' ' ASP . 22.1 p -60.01 -25.44 65.29 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 5.43 50.05 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.66 -1.275 . . . . 0.0 111.857 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -123.74 -67.55 0.92 Allowed 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 118.84 1.32 . . . . 0.0 109.487 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.83 61.85 5.36 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.591 -1.318 . . . . 0.0 108.854 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.41 -148.95 15.89 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.354 -1.403 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.9 m-20 -88.73 165.57 14.64 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.68 -51.55 59.77 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 111.851 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -130.18 32.0 4.56 Favored 'General case' 0 N--CA 1.513 2.713 0 O-C-N 120.64 -1.287 . . . . 0.0 113.066 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.86 140.71 47.03 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.504 -1.373 . . . . 0.0 108.505 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.59 156.52 16.29 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 -178.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.508 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.8 p -129.54 164.87 22.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -48.72 -37.49 18.92 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.649 -1.22 . . . . 0.0 112.219 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.533 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 2.2 tmtm? -77.43 -29.78 53.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.083 -1.636 . . . . 0.0 110.301 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.508 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -74.4 -40.94 61.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.65 -1.281 . . . . 0.0 111.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 3.1 pp -59.99 -45.58 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.646 -1.284 . . . . 0.0 109.117 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.454 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 75.4 tttt -63.22 -39.41 94.54 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.767 -0.583 . . . . 0.0 111.24 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.533 ' OD2' ' NZ ' ' A' ' 31' ' ' LYS . 97.8 m-20 -69.99 -39.85 75.68 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 110.871 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.01 -39.93 90.68 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.038 0.923 . . . . 0.0 110.613 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.2 tp -79.04 -52.68 7.89 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.326 0.584 . . . . 0.0 111.984 -177.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.0 pt20 -62.22 -39.96 94.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 122.093 0.949 . . . . 0.0 112.757 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 2.2 t -47.33 -48.95 25.2 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.4 -0.812 . . . . 0.0 110.761 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 83.3 mt-10 -99.48 -15.16 18.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.241 -0.912 . . . . 0.0 109.887 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -129.89 41.57 3.41 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.2 m -60.08 -50.38 73.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.791 . . . . 0.0 110.159 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -83.76 -19.26 35.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.692 -0.63 . . . . 0.0 112.471 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.642 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.2 t80 -80.54 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 119.843 -1.786 . . . . 0.0 109.923 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.642 ' O ' ' O ' ' A' ' 44' ' ' PHE . 11.2 mp -15.76 151.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.466 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' X' ' 5' ' ' ILE . 44.8 t0 -91.3 104.29 16.84 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 124.428 3.286 . . . . 0.0 109.816 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.401 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.6 OUTLIER -142.32 -47.09 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.468 0 O-C-N 120.511 -1.368 . . . . 0.0 109.462 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 81.7 mt-30 -85.81 -12.29 51.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.134 -0.979 . . . . 0.0 110.01 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 2.8 mmtt -92.46 -19.1 22.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.0 m-20 -143.28 93.73 2.53 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -31.32 65.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.93 -38.37 82.17 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.09 85.26 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.64 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -36.51 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.284 -1.51 . . . . 0.0 108.248 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.16 -40.02 96.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.302 -0.874 . . . . 0.0 110.542 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.57 -40.51 84.86 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.225 -0.922 . . . . 0.0 110.429 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.14 -54.03 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.375 -0.828 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.07 -34.34 73.3 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.365 -0.834 . . . . 0.0 109.848 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -59.15 -49.84 76.33 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.955 -1.091 . . . . 0.0 108.599 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.437 ' OE2' ' OG ' ' X' ' 12' ' ' SER . 96.4 mt-10 -59.99 -23.45 63.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 0.0 108.934 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.518 ' C ' ' H ' ' A' ' 63' ' ' GLU . 34.5 mt -86.67 -28.72 22.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.44 -0.787 . . . . 0.0 109.95 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.492 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 12.7 t0 -72.16 50.87 0.22 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' A' ' 61' ' ' LEU . 95.3 mt-10 -60.04 -41.13 91.58 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.25 -20.02 59.41 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.68 37.54 34.38 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 35.1 p-10 -98.19 -4.58 35.19 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.435 -1.038 . . . . 0.0 111.278 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.492 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 73.78 12.69 80.84 Favored Glycine 0 N--CA 1.503 3.112 0 O-C-N 121.047 -1.033 . . . . 0.0 110.64 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -131.01 174.16 10.28 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.03 129.92 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.779 -1.2 . . . . 0.0 108.924 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 25.9 t0 -96.28 158.88 15.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.093 -1.004 . . . . 0.0 108.757 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.404 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 37.9 t80 -55.08 -27.28 43.78 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -74.57 -25.22 59.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 122.127 0.965 . . . . 0.0 108.823 178.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.45 -48.94 7.97 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.692 0.758 . . . . 0.0 109.802 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.07 -45.59 92.88 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.459 0.647 . . . . 0.0 111.22 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.7 t -60.03 -39.75 81.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.234 -0.917 . . . . 0.0 109.862 -179.143 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.017 -1.052 . . . . 0.0 108.85 178.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.436 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 2.9 tm? -62.34 -52.44 63.63 Favored 'General case' 0 N--CA 1.51 2.549 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 11.4 m -58.64 -36.53 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.387 -1.446 . . . . 0.0 109.152 -179.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.55 -39.45 91.72 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-O 121.642 0.734 . . . . 0.0 109.978 178.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.75 -24.68 58.74 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.9 mt -88.8 -49.18 6.98 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 119.846 -1.784 . . . . 0.0 109.379 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -45.89 -46.72 16.05 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.653 -1.279 . . . . 0.0 109.814 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 27.6 m -59.95 -44.2 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.076 -1.015 . . . . 0.0 110.383 178.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -25.04 65.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.392 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.09 -34.38 75.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.0 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 0.0 109.133 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.87 -3.7 57.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.061 -1.024 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 58.4 t80 -79.52 -5.11 54.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.184 -0.947 . . . . 0.0 108.877 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -59.88 -40.67 89.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.452 -0.78 . . . . 0.0 109.693 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -60.05 143.86 50.93 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.8 t30 62.18 33.18 16.99 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.201 -0.937 . . . . 0.0 109.387 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.545 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.462 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.357 2.503 . . . . 0.0 119.357 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -78.67 163.01 25.8 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -1.149 . . . . 0.0 109.074 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.565 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.1 pm0 -60.06 -46.71 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.052 . . . . 0.0 110.873 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.01 -40.04 95.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.568 -1.332 . . . . 0.0 109.053 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.462 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 86.2 tt0 -59.96 -39.11 84.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.895 . . . . 0.0 109.177 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.4 m -53.26 -40.05 64.32 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.321 1.058 . . . . 0.0 110.019 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.38 71.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.7 ppp? -76.47 -45.14 32.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.175 -1.578 . . . . 0.0 110.11 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.44 ' N ' ' SD ' ' B' ' 8' ' ' MET . 98.3 mt-10 -68.64 -39.1 80.9 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.361 -0.837 . . . . 0.0 110.677 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.51 -55.6 25.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.879 -1.138 . . . . 0.0 110.757 -177.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.4 mp -48.5 -36.45 15.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.4 -1.438 . . . . 0.0 108.829 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.03 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.297 -0.877 . . . . 0.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -80.7 -42.36 22.09 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.965 -1.709 . . . . 0.0 113.26 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.469 ' CG2' ' N ' ' B' ' 15' ' ' PHE . 13.7 m -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.342 -1.474 . . . . 0.0 108.872 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.469 ' N ' ' CG2' ' B' ' 14' ' ' VAL . 4.2 t80 -59.99 -38.48 82.73 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -60.0 -37.82 80.81 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.716 -1.24 . . . . 0.0 109.607 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -57.15 13.86 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.259 -0.901 . . . . 0.0 113.156 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -75.42 -45.36 39.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.79 -1.194 . . . . 0.0 111.365 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 p -60.02 -25.48 65.34 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.93 5.32 50.28 Favored Glycine 0 N--CA 1.502 3.078 0 O-C-N 120.585 -1.322 . . . . 0.0 111.926 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -123.61 -67.62 0.92 Allowed 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 118.92 1.36 . . . . 0.0 109.517 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -81.78 61.86 5.33 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.599 -1.313 . . . . 0.0 108.829 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.51 -148.96 15.86 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.309 -1.424 . . . . 0.0 111.279 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -88.81 165.69 14.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.823 -0.81 . . . . 0.0 108.866 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.74 -51.57 59.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 111.872 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -129.99 31.75 4.64 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.576 -1.328 . . . . 0.0 113.106 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.75 140.57 47.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.308 . . . . 0.0 108.431 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.3 tp -95.1 156.53 16.28 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.497 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.7 p -129.69 164.84 23.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -48.76 -37.51 19.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.688 -1.257 . . . . 0.0 112.186 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 1.8 tmtm? -77.52 -29.74 52.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.05 -1.657 . . . . 0.0 110.151 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.497 ' HB2' ' H ' ' B' ' 29' ' ' SER . 51.4 mt-10 -74.33 -40.85 61.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.641 -1.287 . . . . 0.0 111.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 3.1 pp -60.01 -45.59 92.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.724 -1.235 . . . . 0.0 109.173 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.446 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 75.5 tttt -63.4 -39.06 93.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.865 -0.522 . . . . 0.0 111.246 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' B' ' 31' ' ' LYS . 98.0 m-20 -70.04 -39.96 75.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.844 -1.16 . . . . 0.0 110.871 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -65.86 -39.99 91.25 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.975 0.893 . . . . 0.0 110.618 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 6.8 tp -78.89 -52.75 7.86 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-O 121.481 0.658 . . . . 0.0 111.928 -177.276 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.577 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.9 pt20 -62.2 -40.05 94.79 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 122.134 0.969 . . . . 0.0 112.752 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 2.7 t -47.26 -49.27 23.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.342 -0.849 . . . . 0.0 110.712 -175.519 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 85.6 mt-10 -99.16 -15.01 19.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 0.0 109.942 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 mt -130.23 41.69 3.37 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.577 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.3 m -60.01 -50.37 74.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.214 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -83.93 -18.24 38.01 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.458 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.3 t80 -81.86 -96.34 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 119.991 -1.693 . . . . 0.0 112.007 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.433 ' O ' ' O ' ' B' ' 44' ' ' PHE . 10.8 mp -40.09 159.37 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.412 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.1 t0 -91.38 103.88 16.47 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 122.45 2.386 . . . . 0.0 109.535 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -142.46 -47.15 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.798 -1.189 . . . . 0.0 109.067 178.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.55 -12.54 51.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.092 -1.005 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.53 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 2.4 mmtt -92.61 -18.77 22.64 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.1 m-20 -143.58 93.45 2.47 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.44 64.94 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.98 -38.59 82.99 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.23 85.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.462 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -36.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.087 -1.633 . . . . 0.0 108.161 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.91 -39.98 96.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 110.618 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.433 ' HZ2' ' CE ' ' Y' ' 9' ' ' LYS . 1.1 mptm? -67.89 -40.2 83.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.076 -1.015 . . . . 0.0 110.437 -178.769 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.24 -53.82 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.428 -0.795 . . . . 0.0 110.886 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttt -59.96 -34.61 73.5 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.373 -0.829 . . . . 0.0 109.862 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -59.07 -49.98 75.8 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.905 -1.122 . . . . 0.0 108.608 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.1 -21.83 62.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 0.0 109.257 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.521 ' C ' ' H ' ' B' ' 63' ' ' GLU . 33.7 mt -88.36 -28.46 20.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.541 -0.724 . . . . 0.0 109.839 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.49 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 12.8 t0 -72.44 50.93 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' B' ' 61' ' ' LEU . 95.1 mt-10 -60.04 -40.99 91.27 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.42 -19.94 59.19 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.52 37.57 35.13 Favored Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 35.2 p-10 -98.13 -4.94 34.63 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.448 -1.03 . . . . 0.0 111.138 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.49 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 74.07 12.7 81.41 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -130.89 174.31 10.1 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -129.98 129.85 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 120.689 -1.257 . . . . 0.0 108.97 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.16 159.07 15.15 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.979 -1.076 . . . . 0.0 108.697 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.14 -27.48 45.74 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.7 tt0 -74.53 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.099 0.952 . . . . 0.0 108.758 178.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.5 -48.78 8.09 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.802 0.811 . . . . 0.0 109.835 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.96 -45.76 92.26 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.504 0.668 . . . . 0.0 111.196 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 54.5 t -60.07 -39.59 80.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.215 -0.928 . . . . 0.0 109.803 -178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.07 -40.05 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.835 178.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.429 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.0 tm? -62.4 -52.39 63.79 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 13.1 m -58.7 -36.38 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.447 -1.408 . . . . 0.0 109.232 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-O 121.723 0.773 . . . . 0.0 109.925 178.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.57 58.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -88.84 -48.97 7.1 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 119.829 -1.794 . . . . 0.0 109.446 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -46.11 -46.54 17.13 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.85 -1.156 . . . . 0.0 109.648 178.001 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.97 -44.15 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.031 -1.043 . . . . 0.0 110.482 178.121 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.66 -24.93 65.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.244 -0.91 . . . . 0.0 109.384 -179.165 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.33 -34.0 73.96 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.066 -1.021 . . . . 0.0 108.995 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -59.95 -38.4 82.32 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.142 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -82.53 -3.96 56.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.076 -1.015 . . . . 0.0 109.129 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 58.1 t80 -79.47 -4.99 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.233 -0.917 . . . . 0.0 108.979 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.99 -40.53 89.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 0.0 109.692 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.21 143.71 51.89 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.1 t30 62.41 33.09 16.5 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.318 -0.863 . . . . 0.0 109.292 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.509 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 62.5 p . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.306 0.574 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.411 ' N ' ' OG1' ' X' ' 1' ' ' THR . 59.4 mtm180 -60.06 -40.16 88.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.309 -0.869 . . . . 0.0 109.383 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 24.7 p -64.58 -40.45 95.57 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.165 -0.96 . . . . 0.0 110.031 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.16 142.7 27.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.996 -1.065 . . . . 0.0 108.464 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.37 125.29 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' X' ' 9' ' ' LYS . 74.7 m-20 -147.48 8.06 0.89 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.08 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.608 ' CE2' ' ND2' ' X' ' 8' ' ' ASN . 35.9 p-90 -55.71 -41.54 73.95 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.608 ' ND2' ' CE2' ' X' ' 7' ' ' TRP . 46.5 m-80 -52.49 -29.32 24.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.168 -1.583 . . . . 0.0 107.573 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' X' ' 12' ' ' SER . 25.0 ttpp -55.28 -23.81 25.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.589 ' N ' ' O ' ' X' ' 7' ' ' TRP . 10.8 tt -50.01 -36.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.536 ' N ' ' O ' ' X' ' 8' ' ' ASN . 0.3 OUTLIER -60.02 -39.83 87.2 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.793 178.761 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.538 ' N ' ' O ' ' X' ' 9' ' ' LYS . 19.9 p . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.647 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.661 ' HG1' ' H ' ' Y' ' 2' ' ' ARG . 9.9 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.661 ' H ' ' HG1' ' Y' ' 1' ' ' THR . 75.4 mtm180 -79.01 155.99 28.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.03 -1.043 . . . . 0.0 109.581 -179.412 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -79.71 138.3 37.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.246 -0.909 . . . . 0.0 109.546 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -85.86 -47.77 9.37 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.482 -0.762 . . . . 0.0 110.398 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 1.8 tt -122.21 121.09 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.33 0 O-C-N 121.106 -0.996 . . . . 0.0 110.011 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Y' ' 6' ' ' ASP . 12.0 t70 -150.04 -4.0 0.37 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.999 0.904 . . . . 0.0 108.574 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.588 ' CG ' ' N ' ' Y' ' 8' ' ' ASN . 23.3 p-90 -59.94 -47.63 85.01 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.911 -1.118 . . . . 0.0 108.989 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 0.5 OUTLIER -49.88 -32.32 14.22 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.078 -1.639 . . . . 0.0 109.367 179.719 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' Y' ' 12' ' ' SER . 87.5 tttt -59.47 -24.39 63.52 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.573 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 7.4 tt -47.05 -38.87 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.398 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 7.9 tt -67.33 -40.14 85.89 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.921 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 19.5 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.493 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.443 2.537 . . . . 0.0 119.443 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -79.83 168.53 19.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -1.209 . . . . 0.0 108.752 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 35.7 mp0 -59.87 -49.47 77.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.902 -1.124 . . . . 0.0 111.473 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.98 -44.17 94.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.428 -1.42 . . . . 0.0 109.617 -179.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.54 -35.41 77.67 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.087 -1.008 . . . . 0.0 109.96 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.88 -43.87 94.53 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.383 -0.823 . . . . 0.0 110.25 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.498 -0.751 . . . . 0.0 112.318 -178.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 ttt -68.53 -50.69 50.18 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.22 -1.55 . . . . 0.0 109.832 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -70.03 -36.98 75.45 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.813 -0.555 . . . . 0.0 111.084 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 13' ' ' ASN . 2.0 t -60.18 -54.88 40.59 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.138 -1.425 . . . . 0.0 109.176 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' A' ' 10' ' ' THR . 6.9 mp -47.61 -34.72 8.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.444 -1.41 . . . . 0.0 108.503 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.505 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 69.9 mt -72.35 -23.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.147 -0.971 . . . . 0.0 108.809 178.634 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.8 t-20 -77.81 -53.58 7.33 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.352 -0.843 . . . . 0.0 112.026 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.421 HG21 ' H ' ' A' ' 15' ' ' PHE . 31.3 m -72.12 -42.32 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.352 -0.843 . . . . 0.0 111.292 -178.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 5.0 m-30 -60.11 -42.35 94.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.541 -1.349 . . . . 0.0 107.699 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 12' ' ' ILE . 10.1 m-70 -61.38 -38.85 88.5 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 120.786 -1.196 . . . . 0.0 109.676 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.76 -55.52 33.25 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.432 -0.792 . . . . 0.0 113.064 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -79.04 -43.95 23.19 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.612 -1.305 . . . . 0.0 111.344 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.45 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 5.6 m -57.5 -31.18 65.76 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.31 9.58 57.68 Favored Glycine 0 N--CA 1.504 3.231 0 O-C-N 120.567 -1.333 . . . . 0.0 110.092 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.453 ' C ' ' H ' ' A' ' 23' ' ' GLY . 11.7 ttmm -125.99 -73.65 0.62 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.524 -0.986 . . . . 0.0 108.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 97.1 mt-10 -69.62 42.73 0.05 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.91 -1.119 . . . . 0.0 110.277 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 173.47 -141.52 6.12 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 119.449 -1.358 . . . . 0.0 110.856 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -88.98 170.09 10.98 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -59.55 -49.39 77.96 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 112.093 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -125.4 28.35 6.31 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.306 -1.497 . . . . 0.0 112.834 -177.059 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -133.9 141.07 47.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.559 -1.338 . . . . 0.0 108.708 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tp -91.79 155.77 18.0 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 35.3 t -129.32 160.62 32.45 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.203 -0.936 . . . . 0.0 109.258 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.98 -42.31 5.92 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.133 -0.98 . . . . 0.0 111.839 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -77.08 -25.61 52.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.596 -1.94 . . . . 0.0 110.863 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -73.9 -43.4 58.58 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.727 -1.233 . . . . 0.0 111.115 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.478 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 4.3 pp -59.88 -42.67 94.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.769 -1.207 . . . . 0.0 108.073 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.478 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 79.3 tttt -60.02 -41.06 91.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.271 -178.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -63.4 -44.83 93.56 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.3 mt -71.59 -39.98 70.18 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 119.588 -1.945 . . . . 0.0 111.524 -178.285 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.23 -46.55 70.22 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.035 -1.041 . . . . 0.0 112.645 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 39' ' ' THR . 16.2 pt20 -71.35 -40.96 70.36 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 122.164 0.983 . . . . 0.0 112.069 -177.801 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.495 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.3 m -59.95 -44.39 94.42 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.323 -175.349 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 35.3 mp0 -99.41 -17.52 17.94 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.009 -1.057 . . . . 0.0 111.791 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.6 mt -134.96 52.06 2.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.883 -1.135 . . . . 0.0 110.818 -178.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.547 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 58.1 m -61.92 -45.46 93.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.877 -1.139 . . . . 0.0 110.195 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -66.06 -40.05 90.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 111.561 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.644 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.2 t80 -91.49 -104.75 0.1 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.858 -1.151 . . . . 0.0 111.513 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.644 ' O ' ' O ' ' A' ' 44' ' ' PHE . 3.8 mm? -8.5 138.95 0.0 OUTLIER 'General case' 0 N--CA 1.528 3.45 0 CA-C-O 115.776 -2.059 . . . . 0.0 110.205 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 12.8 p30 -88.77 124.57 34.27 Favored 'General case' 0 N--CA 1.518 2.969 1 CA-C-N 126.882 4.401 . . . . 0.0 110.043 176.017 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 57.8 t -151.63 -94.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.704 -1.248 . . . . 0.0 110.992 178.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 27.0 mt-30 -60.39 -40.37 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.88 . . . . 0.0 112.337 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.599 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.32 -17.15 62.24 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -148.54 91.26 1.87 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.08 76.55 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 19.9 t0 -56.36 -37.82 70.57 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.19 96.66 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.318 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -33.29 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.019 -1.675 . . . . 0.0 108.107 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -68.99 -39.28 79.47 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.445 -0.784 . . . . 0.0 110.741 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' CG ' ' A' ' 52' ' ' ASP . 61.4 mttp -69.28 -39.89 78.1 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.055 -1.028 . . . . 0.0 110.789 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.59 -55.7 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.367 -0.833 . . . . 0.0 109.553 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 1.4 ttt -60.1 -36.69 77.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.0 109.831 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.87 -44.93 93.89 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.04 -25.93 67.27 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 63' ' ' GLU . 34.6 mt -90.66 -27.79 18.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.411 -0.805 . . . . 0.0 109.754 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 58' ' ' MET . 90.1 m-20 -72.09 49.02 0.18 Allowed 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' A' ' 61' ' ' LEU . 43.7 mt-10 -59.88 -42.21 93.29 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -74.44 -20.75 59.91 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.06 39.97 22.09 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.14 -7.31 32.9 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.502 -0.999 . . . . 0.0 112.437 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.57 6.91 82.34 Favored Glycine 0 N--CA 1.502 3.045 0 O-C-N 120.694 -1.254 . . . . 0.0 110.125 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -131.71 175.96 8.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.08 130.38 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 0 O-C-N 120.68 -1.263 . . . . 0.0 108.965 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 38.0 t0 -93.57 167.95 11.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 0.0 108.776 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.419 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -59.94 -37.79 80.55 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -178.317 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -69.52 -24.2 63.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 178.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -85.62 -51.09 6.71 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.801 0.81 . . . . 0.0 110.304 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 1.3 t80 -63.0 -46.86 85.64 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.777 0.798 . . . . 0.0 111.25 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 50.6 t -60.24 -38.26 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.604 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.1 t -57.9 -40.04 74.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.974 179.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.1 tm? -60.43 -51.09 70.97 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.218 -0.926 . . . . 0.0 112.603 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.54 -28.64 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.484 -1.385 . . . . 0.0 109.504 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.67 -34.88 70.07 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.271 -0.893 . . . . 0.0 110.138 179.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.413 ' O ' HG21 ' A' ' 83' ' ' VAL . . . -87.0 -20.76 26.78 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -176.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.587 ' CD1' ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -81.62 -31.27 32.53 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.38 -2.075 . . . . 0.0 108.394 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.587 ' N ' ' CD1' ' A' ' 81' ' ' LEU . 3.6 t -72.23 -42.87 65.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.09 -1.006 . . . . 0.0 110.923 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.485 ' CG2' ' N ' ' A' ' 84' ' ' ALA . 18.6 m -60.06 -44.84 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.883 -1.135 . . . . 0.0 108.995 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.485 ' N ' ' CG2' ' A' ' 83' ' ' VAL . . . -66.83 -30.34 70.5 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.568 0.699 . . . . 0.0 109.311 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.37 -39.98 94.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.509 -0.744 . . . . 0.0 109.161 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.81 -32.79 72.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.823 . . . . 0.0 109.421 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -59.88 -39.91 86.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.98 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -84.25 -6.98 59.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.936 -1.103 . . . . 0.0 109.997 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.814 -1.179 . . . . 0.0 109.038 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -86.17 -3.26 58.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.782 -0.574 . . . . 0.0 110.954 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -59.94 -39.65 86.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.801 -1.187 . . . . 0.0 109.542 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -96.92 0.04 48.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.141 -0.974 . . . . 0.0 109.808 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.259 -179.736 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.944 0 N-CA-C 119.398 2.519 . . . . 0.0 119.398 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -79.69 168.52 19.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.167 -1.196 . . . . 0.0 108.604 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 36.8 mp0 -59.89 -49.54 77.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.815 -1.178 . . . . 0.0 111.58 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.99 -43.88 94.86 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.396 -1.44 . . . . 0.0 109.752 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.75 -35.2 77.43 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.996 -1.065 . . . . 0.0 109.928 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.94 -44.08 94.59 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.422 -0.799 . . . . 0.0 110.294 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.24 -28.91 65.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.654 -0.654 . . . . 0.0 112.286 -178.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.52 -50.78 49.48 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.363 -1.46 . . . . 0.0 109.778 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.0 -36.95 75.54 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.85 -0.531 . . . . 0.0 111.19 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.543 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.9 t -60.17 -54.66 43.19 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.28 -1.368 . . . . 0.0 109.277 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 6.9 mp -48.01 -34.26 9.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.358 -1.464 . . . . 0.0 108.588 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.498 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 70.3 mt -72.81 -23.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.103 -0.998 . . . . 0.0 108.785 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 10' ' ' THR . 19.1 t-20 -77.69 -53.13 7.91 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.364 -0.835 . . . . 0.0 112.026 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.418 HG22 ' H ' ' B' ' 15' ' ' PHE . 28.5 m -72.72 -42.24 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 111.195 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.643 ' CZ ' ' CE2' ' B' ' 74' ' ' PHE . 5.0 m-30 -60.1 -42.45 94.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.556 -1.34 . . . . 0.0 107.504 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' B' ' 12' ' ' ILE . 10.2 m-70 -61.2 -39.19 89.27 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.695 -1.253 . . . . 0.0 109.62 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.7 31.32 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 0.0 113.022 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 19.1 m-70 -78.91 -44.05 23.49 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.604 -1.31 . . . . 0.0 111.424 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 24' ' ' ASP . 6.0 m -57.5 -30.97 65.55 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.47 9.26 57.29 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.573 -1.33 . . . . 0.0 110.201 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.458 ' C ' ' H ' ' B' ' 23' ' ' GLY . 12.4 ttmm -125.96 -73.53 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.582 -0.952 . . . . 0.0 108.923 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.429 ' CD ' ' HZ1' ' B' ' 31' ' ' LYS . 96.4 mt-10 -69.35 42.23 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.886 -1.134 . . . . 0.0 110.411 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.458 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 173.83 -141.3 5.94 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.886 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . 94.9 m-20 -89.21 170.15 10.84 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -59.54 -49.77 76.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.955 -1.091 . . . . 0.0 112.046 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -125.14 28.39 6.39 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.326 -1.484 . . . . 0.0 112.857 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -133.94 140.72 46.95 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.53 -1.356 . . . . 0.0 108.569 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -91.35 156.24 17.91 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.1 t -129.5 160.86 31.87 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.163 -0.96 . . . . 0.0 109.066 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.8 -41.85 7.32 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.853 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.429 ' HZ1' ' CD ' ' B' ' 22' ' ' GLU . 14.5 tmtt? -77.06 -25.71 52.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 119.576 -1.952 . . . . 0.0 110.776 -178.273 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.445 ' HB2' ' H ' ' B' ' 29' ' ' SER . 50.5 mt-10 -73.93 -43.03 59.65 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.619 -1.301 . . . . 0.0 111.134 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.475 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 4.3 pp -60.02 -42.54 94.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 108.098 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.475 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 81.3 tttt -60.08 -41.02 91.56 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.148 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -63.38 -45.32 91.64 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.467 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 61.6 mt -71.19 -39.88 71.54 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 119.653 -1.904 . . . . 0.0 111.558 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.66 -46.26 69.59 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.139 -0.975 . . . . 0.0 112.68 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.51 ' CG ' ' N ' ' B' ' 39' ' ' THR . 16.3 pt20 -71.41 -41.02 70.1 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.319 1.057 . . . . 0.0 111.983 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.51 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.0 m -59.91 -44.6 94.19 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.32 -175.215 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.467 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 34.9 mp0 -99.35 -17.02 18.23 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.033 -1.042 . . . . 0.0 111.889 -177.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 77.7 mt -135.3 52.13 2.04 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.026 -1.047 . . . . 0.0 110.743 -178.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.553 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 61.9 m -62.17 -45.2 94.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.952 -1.092 . . . . 0.0 110.118 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 73.4 m -66.15 -39.91 90.16 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.283 -0.885 . . . . 0.0 111.531 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' B' ' 45' ' ' LEU . 4.7 t80 -92.19 -91.99 0.16 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.954 -1.091 . . . . 0.0 112.865 -177.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.575 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 3.4 mm? -31.35 146.12 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.03 0 CA-C-O 117.384 -1.294 . . . . 0.0 109.02 -174.292 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 18.1 p-10 -88.99 123.25 33.14 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 124.5 3.318 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 59.8 t -151.69 -94.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 120.788 -1.195 . . . . 0.0 110.793 179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 27.1 mt-30 -60.1 -40.11 88.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 112.492 -177.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.608 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -63.73 -17.4 62.98 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -148.14 91.45 1.92 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.04 76.11 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.479 ' CG ' ' NZ ' ' B' ' 56' ' ' LYS . 18.3 t0 -56.56 -38.58 72.11 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.79 98.88 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.074 -176.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -33.42 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.217 -1.552 . . . . 0.0 108.327 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -69.07 -39.74 78.92 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.416 -0.803 . . . . 0.0 110.693 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.479 ' NZ ' ' CG ' ' B' ' 52' ' ' ASP . 59.6 mttp -68.69 -40.0 80.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.051 -1.031 . . . . 0.0 110.744 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.85 -55.59 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.375 -0.828 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.502 ' O ' ' N ' ' B' ' 62' ' ' ASP . 1.5 ttt -59.98 -36.85 78.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.468 -0.77 . . . . 0.0 109.939 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -59.73 -44.63 93.67 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.13 -23.8 66.77 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.552 ' C ' ' H ' ' B' ' 63' ' ' GLU . 33.7 mt -92.48 -27.72 17.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.451 -0.78 . . . . 0.0 109.453 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 58' ' ' MET . 89.7 m-20 -72.28 49.11 0.19 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.552 ' H ' ' C ' ' B' ' 61' ' ' LEU . 44.1 mt-10 -60.05 -42.23 94.04 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -74.43 -20.85 59.89 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.12 39.94 21.96 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 107.774 -2.13 . . . . 0.0 107.774 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -97.09 -7.6 32.3 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 121.508 -0.995 . . . . 0.0 112.336 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.24 7.61 82.44 Favored Glycine 0 N--CA 1.501 3.007 0 O-C-N 120.705 -1.247 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -131.89 176.01 8.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.05 130.29 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 O-C-N 120.639 -1.288 . . . . 0.0 109.067 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 38.4 t0 -93.71 167.74 11.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.789 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.419 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -59.66 -37.42 78.69 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.313 -178.254 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 58.7 tt0 -69.93 -24.4 63.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 178.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -85.47 -51.05 6.79 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.123 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.643 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 1.3 t80 -62.9 -46.86 85.85 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.792 0.806 . . . . 0.0 111.236 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 55.0 t -59.93 -38.74 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.104 -0.998 . . . . 0.0 110.667 -179.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.67 -39.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 C-N-CA 118.961 -1.095 . . . . 0.0 109.139 179.232 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.468 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.1 tm? -60.19 -51.81 67.99 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.205 -0.935 . . . . 0.0 112.349 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -62.78 -29.38 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.605 -1.309 . . . . 0.0 109.695 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.44 -34.87 70.66 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.326 -0.859 . . . . 0.0 110.084 179.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -86.66 -20.92 27.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.579 ' CD1' ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -81.98 -31.35 31.17 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 119.388 -2.07 . . . . 0.0 108.348 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.579 ' N ' ' CD1' ' B' ' 81' ' ' LEU . 3.6 t -72.13 -42.57 65.86 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.982 -1.074 . . . . 0.0 110.944 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.486 ' CG2' ' N ' ' B' ' 84' ' ' ALA . 18.1 m -60.16 -45.05 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.966 -1.084 . . . . 0.0 109.116 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.486 ' N ' ' CG2' ' B' ' 83' ' ' VAL . . . -67.54 -29.4 68.78 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.465 0.65 . . . . 0.0 109.306 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.39 -39.91 94.79 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.456 -0.778 . . . . 0.0 109.136 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -61.01 -32.89 72.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.343 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.84 -39.6 85.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.256 -0.903 . . . . 0.0 108.925 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -84.49 -6.9 59.41 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.924 -1.11 . . . . 0.0 109.983 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.06 -35.46 66.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.901 -1.124 . . . . 0.0 109.021 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -86.13 -3.33 58.93 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.784 -0.572 . . . . 0.0 110.868 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -59.7 -39.94 86.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.725 -1.235 . . . . 0.0 109.644 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -96.72 -0.0 48.91 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.174 -0.954 . . . . 0.0 109.639 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.156 -179.63 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.384 0.611 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' X' ' 4' ' ' LYS . 39.1 mmt180 -71.64 152.41 42.88 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -61.88 72.97 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.813 -1.179 . . . . 0.0 109.671 -179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' X' ' 2' ' ' ARG . 4.6 tppt? -147.25 115.79 6.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.243 -0.91 . . . . 0.0 109.11 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.45 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 3.4 pt -143.14 128.22 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.349 -0.844 . . . . 0.0 108.869 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.403 ' N ' ' OD1' ' X' ' 6' ' ' ASP . 24.5 p-10 -109.93 17.72 20.84 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.034 -1.041 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.539 ' O ' ' N ' ' X' ' 10' ' ' ILE . 62.1 t90 -59.88 -47.52 85.43 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.172 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.557 ' ND2' ' CD1' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -50.76 -33.36 22.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 119.893 -1.754 . . . . 0.0 109.116 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.92 -25.28 65.01 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.539 ' N ' ' O ' ' X' ' 7' ' ' TRP . 9.8 tt -50.77 -43.22 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.4 tp -71.04 -41.13 71.2 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.08 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.448 ' O ' ' O ' ' X' ' 11' ' ' LEU . 3.1 t . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.161 -0.923 . . . . 0.0 109.649 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.454 ' H3 ' ' HZ1' ' Y' ' 4' ' ' LYS . 3.8 m . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.504 ' O ' ' OG1' ' Y' ' 3' ' ' THR . 77.4 mtm180 -75.32 175.35 8.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.271 -0.893 . . . . 0.0 110.502 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' Y' ' 2' ' ' ARG . 13.6 p 65.65 69.53 0.46 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.503 0.668 . . . . 0.0 110.549 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.454 ' HZ1' ' H3 ' ' Y' ' 1' ' ' THR . 98.0 mttt -146.19 155.55 42.78 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.409 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.9 pt -111.81 125.57 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.364 -0.835 . . . . 0.0 109.065 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -108.78 16.99 22.34 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.901 0.857 . . . . 0.0 108.79 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.557 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 56.4 t90 -59.89 -49.95 75.67 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 110.585 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.534 HD22 ' CG1' ' B' ' 57' ' ' ILE . 1.0 OUTLIER -52.07 -31.23 29.43 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 119.622 -1.923 . . . . 0.0 108.987 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.94 -23.89 63.92 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.557 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.96 -37.38 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.402 ' N ' HG23 ' Y' ' 10' ' ' ILE . 3.0 tt -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.588 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.93 0 N-CA-C 120.046 2.778 . . . . 0.0 120.046 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -86.93 36.34 0.72 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.474 -1.016 . . . . 0.0 110.126 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.28 -42.61 95.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.06 -1.025 . . . . 0.0 110.974 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 58.5 tp -62.33 -42.31 99.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.6 -1.312 . . . . 0.0 109.79 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.66 -38.62 85.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.119 -0.988 . . . . 0.0 109.238 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.445 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.5 m -48.75 -45.75 40.14 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 122.072 0.939 . . . . 0.0 110.213 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -28.61 64.56 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.2 ttt -70.31 -52.15 24.96 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.057 -1.652 . . . . 0.0 110.916 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.54 -29.49 70.12 Favored 'General case' 0 C--N 1.289 -2.022 0 O-C-N 121.623 -0.673 . . . . 0.0 110.303 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.52 -58.65 6.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.983 . . . . 0.0 110.239 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.46 -40.06 61.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.384 -1.448 . . . . 0.0 110.047 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.442 HG22 HD12 ' A' ' 12' ' ' ILE . 81.0 mt -64.54 -39.44 85.6 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 O-C-N 120.996 -1.065 . . . . 0.0 112.0 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -79.02 -44.76 21.6 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.042 -1.661 . . . . 0.0 112.451 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.442 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 7.9 p -59.93 -40.65 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.825 -1.172 . . . . 0.0 109.145 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.442 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 40.8 t80 -62.52 -40.4 96.61 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.711 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.0 -27.25 64.54 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.493 -1.379 . . . . 0.0 109.718 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -55.67 31.5 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.416 -0.802 . . . . 0.0 112.465 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.523 ' CE1' ' HG ' ' A' ' 19' ' ' SER . 7.8 p-80 -86.66 -38.83 16.66 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.278 -0.889 . . . . 0.0 111.32 -178.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.523 ' HG ' ' CE1' ' A' ' 18' ' ' HIS . 46.7 m -54.16 -29.09 44.3 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 112.372 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.56 11.04 25.86 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.87 -1.144 . . . . 0.0 112.574 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -114.82 -73.49 0.65 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 119.361 1.58 . . . . 0.0 108.884 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -87.69 76.46 8.84 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.45 -153.85 25.15 Favored Glycine 0 N--CA 1.488 2.112 0 C-N-CA 119.487 -1.339 . . . . 0.0 111.065 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -75.47 157.24 34.31 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.678 0.752 . . . . 0.0 110.239 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -56.05 -50.74 70.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.591 -0.693 . . . . 0.0 111.994 -177.244 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 41.5 t80 -134.69 37.67 3.08 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.556 -1.34 . . . . 0.0 111.222 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.419 ' HZ2' ' H ' ' A' ' 28' ' ' LEU . 1.3 tptp -139.86 142.82 36.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.906 -1.121 . . . . 0.0 108.675 179.21 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.419 ' H ' ' HZ2' ' A' ' 27' ' ' LYS . 4.1 tp -92.51 150.24 20.88 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 59.9 m -129.65 166.7 19.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.909 -1.12 . . . . 0.0 108.294 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -46.44 -32.77 3.49 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.628 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -82.85 -38.39 23.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.757 -1.215 . . . . 0.0 111.232 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.454 ' HB2' ' H ' ' A' ' 29' ' ' SER . 34.4 mt-10 -70.03 -39.94 75.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.119 -1.613 . . . . 0.0 109.798 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.518 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 1.7 pp -59.37 -52.17 66.76 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.472 -1.392 . . . . 0.0 110.507 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.518 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 78.2 tttt -60.12 -40.15 88.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.746 -1.221 . . . . 0.0 112.369 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 51.1 t0 -62.38 -40.73 97.4 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.017 -1.052 . . . . 0.0 110.589 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.7 tp -59.99 -49.6 77.04 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.724 -0.61 . . . . 0.0 111.893 -177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.497 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 4.0 mm? -70.3 -40.41 74.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.912 -1.118 . . . . 0.0 112.884 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.55 -23.09 59.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 112.619 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.7 m -59.59 -45.44 91.87 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.809 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' OE1' ' N ' ' B' ' 4' ' ' LEU . 60.2 mt-10 -107.01 -39.54 5.72 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.46 -0.775 . . . . 0.0 111.361 -177.768 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.492 ' CD1' ' N ' ' A' ' 41' ' ' LEU . 8.1 mp -99.47 42.58 1.1 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.904 -1.122 . . . . 0.0 108.782 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.412 ' OG ' ' OE1' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -60.07 -45.24 93.55 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.499 0.666 . . . . 0.0 109.982 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.0 t -85.03 -20.07 31.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.474 -0.766 . . . . 0.0 111.873 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.68 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 1.9 t80 -89.0 -105.09 0.09 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.491 -1.381 . . . . 0.0 111.483 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.68 ' N ' ' CG ' ' A' ' 44' ' ' PHE . 1.4 tp -13.08 150.78 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.93 0 CA-C-O 117.435 -1.269 . . . . 0.0 110.24 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 33.5 t0 -93.75 103.69 15.81 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 124.271 3.214 . . . . 0.0 109.089 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -142.39 -56.32 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 O-C-N 120.348 -1.47 . . . . 0.0 110.212 179.123 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.5 pt20 -81.55 -35.93 29.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.776 -1.202 . . . . 0.0 109.727 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.555 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -68.37 -22.57 64.65 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.09 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 46' ' ' ASP . 76.9 m-20 -141.65 91.95 2.41 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.52 69.98 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.86 -38.57 82.5 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.75 76.46 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.826 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -39.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.484 -1.385 . . . . 0.0 107.934 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -61.1 -39.97 91.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.257 -0.902 . . . . 0.0 110.658 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.76 -40.04 94.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.514 -1.366 . . . . 0.0 109.425 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.557 ' CD1' ' ND2' ' X' ' 8' ' ' ASN . 49.2 mt -70.95 -51.3 36.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.534 0.683 . . . . 0.0 111.699 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.1 tpt -60.27 -42.76 96.07 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 121.057 -1.027 . . . . 0.0 110.041 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -43.51 98.72 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.09 -28.41 67.8 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.551 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.8 mt -94.76 -20.02 19.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.553 -0.717 . . . . 0.0 110.73 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' MET . 95.2 m-20 -74.28 41.87 0.15 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.648 -1.282 . . . . 0.0 107.998 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.551 ' H ' ' C ' ' A' ' 61' ' ' LEU . 100.0 mt-10 -59.76 -40.38 87.98 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.564 -0.854 . . . . 0.0 108.849 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.88 -19.42 61.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.68 32.44 64.23 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -93.43 -6.43 47.06 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.439 -1.036 . . . . 0.0 111.894 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.99 5.84 66.31 Favored Glycine 0 N--CA 1.499 2.862 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.86 175.48 8.01 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.401 ' O ' ' CB ' ' A' ' 28' ' ' LEU . 5.7 t -135.44 130.47 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 O-C-N 120.422 -1.424 . . . . 0.0 109.104 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.548 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -97.73 155.62 16.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.693 -1.254 . . . . 0.0 108.867 -179.66 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 24.5 t80 -52.51 -22.77 5.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -80.69 -22.5 40.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.843 179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 76.3 mt-10 -80.8 -52.03 7.96 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.49 -0.756 . . . . 0.0 109.552 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.41 ' O ' ' N ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -76.85 -40.96 45.93 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.319 -0.953 . . . . 0.0 111.558 -178.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.521 ' CG2' ' CE1' ' A' ' 71' ' ' PHE . 58.9 t -53.94 -38.97 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 119.995 -1.691 . . . . 0.0 108.032 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -59.99 -37.15 71.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.034 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -69.98 -55.97 8.22 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -177.063 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 16.3 m -49.85 -36.39 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 120.513 -1.367 . . . . 0.0 107.725 -179.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.3 -38.38 90.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -78.66 -24.25 45.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.1 mt -85.83 -46.36 10.71 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 119.513 -1.992 . . . . 0.0 109.429 -178.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 4.8 t -57.49 -42.02 81.84 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.331 -0.856 . . . . 0.0 111.069 178.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' CG2' ' N ' ' A' ' 84' ' ' ALA . 31.0 m -60.05 -42.81 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.58 -1.325 . . . . 0.0 108.717 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' ' CG2' ' A' ' 83' ' ' VAL . . . -60.56 -31.03 70.16 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.05 -39.65 82.97 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.51 -0.744 . . . . 0.0 109.993 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' ND2' ' OH ' ' B' ' 26' ' ' TYR . 57.9 t-20 -60.16 -39.5 86.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.093 -1.005 . . . . 0.0 108.804 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.25 -39.77 87.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.064 -1.022 . . . . 0.0 109.456 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 61.1 t80 -83.17 -4.45 58.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.417 -0.802 . . . . 0.0 109.647 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.535 ' CE2' ' ND2' ' A' ' 92' ' ' ASN . 61.1 t80 -80.76 -9.01 59.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.949 . . . . 0.0 109.127 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -62.52 -7.66 5.0 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.318 -0.864 . . . . 0.0 109.73 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.13 -18.9 50.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.197 -0.939 . . . . 0.0 109.374 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.535 ' ND2' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p-10 -90.07 0.32 57.2 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.363 -0.835 . . . . 0.0 109.829 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.053 -1.03 . . . . 0.0 109.4 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.785 0 N-CA-C 119.987 2.755 . . . . 0.0 119.987 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -87.52 36.11 0.74 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.703 -0.881 . . . . 0.0 109.764 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.27 -42.35 95.22 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.194 -0.942 . . . . 0.0 110.932 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.483 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 59.9 tp -62.9 -41.95 99.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.65 -1.281 . . . . 0.0 109.716 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.38 -39.14 86.21 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.142 -0.974 . . . . 0.0 109.315 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.455 ' O ' ' OG1' ' B' ' 10' ' ' THR . 18.0 m -48.45 -45.82 37.0 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 122.027 0.918 . . . . 0.0 110.198 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.44 -29.13 65.63 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.5 ttt -70.73 -51.8 25.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.085 -1.635 . . . . 0.0 110.968 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.94 -28.43 68.91 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.545 -0.722 . . . . 0.0 110.302 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -63.34 -58.51 6.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 110.151 -179.256 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -52.46 -39.79 61.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.38 -1.45 . . . . 0.0 109.969 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.412 HD13 HG23 ' B' ' 12' ' ' ILE . 81.4 mt -64.8 -39.89 87.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 120.949 -1.095 . . . . 0.0 112.131 -179.186 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -78.97 -44.11 23.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.054 -1.654 . . . . 0.0 112.46 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.437 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 7.9 p -60.7 -40.17 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.801 -1.187 . . . . 0.0 108.889 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.437 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 42.4 t80 -62.65 -40.15 96.12 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.705 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -70.09 -27.76 64.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.447 -1.408 . . . . 0.0 109.695 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.7 30.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.37 -0.832 . . . . 0.0 112.544 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.456 ' CG ' ' N ' ' B' ' 19' ' ' SER . 7.8 p-80 -86.46 -39.01 16.73 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.33 -0.856 . . . . 0.0 111.339 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' B' ' 18' ' ' HIS . 45.7 m -54.03 -29.29 43.17 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.382 -0.824 . . . . 0.0 112.632 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 11.26 25.67 Favored Glycine 0 N--CA 1.508 3.454 0 O-C-N 120.875 -1.141 . . . . 0.0 112.42 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -115.01 -73.38 0.65 Allowed 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 119.352 1.576 . . . . 0.0 108.931 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -87.75 75.81 8.89 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.016 -1.053 . . . . 0.0 108.234 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.56 -153.77 25.06 Favored Glycine 0 N--CA 1.487 2.042 0 C-N-CA 119.45 -1.357 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -75.94 157.49 33.12 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.877 -0.778 . . . . 0.0 110.248 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.4 ' H ' ' CD ' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -55.86 -50.79 69.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.646 -0.659 . . . . 0.0 112.0 -177.287 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 42.8 t80 -134.67 37.34 3.09 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.44 -1.412 . . . . 0.0 111.242 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.409 ' NZ ' ' H ' ' B' ' 28' ' ' LEU . 1.0 OUTLIER -139.52 142.84 37.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.01 -1.056 . . . . 0.0 108.717 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.409 ' H ' ' NZ ' ' B' ' 27' ' ' LYS . 4.1 tp -92.4 150.25 20.92 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.446 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 51.2 m -129.7 166.69 19.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.977 -1.077 . . . . 0.0 108.256 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -46.45 -33.0 3.63 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.067 -1.021 . . . . 0.0 109.567 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -82.95 -38.01 23.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.671 -1.268 . . . . 0.0 111.161 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.446 ' HB2' ' H ' ' B' ' 29' ' ' SER . 33.6 mt-10 -70.21 -39.71 74.97 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 119.946 -1.721 . . . . 0.0 109.791 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.526 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 1.7 pp -59.56 -51.72 68.61 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.53 -1.356 . . . . 0.0 110.262 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.526 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 76.3 tttt -60.32 -40.38 90.37 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.875 -1.141 . . . . 0.0 112.367 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 51.5 t0 -62.44 -40.45 96.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.996 -1.065 . . . . 0.0 110.676 -178.016 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.673 -0.642 . . . . 0.0 111.678 -177.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 4.0 mm? -70.25 -40.87 74.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.855 -1.153 . . . . 0.0 112.821 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.1 -22.87 60.48 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.024 -1.048 . . . . 0.0 112.651 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.2 m -59.62 -45.76 90.98 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 117.914 -1.514 . . . . 0.0 108.712 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.481 ' OE1' ' N ' ' A' ' 4' ' ' LEU . 61.7 mt-10 -106.96 -38.72 5.96 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.283 -0.886 . . . . 0.0 111.407 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' B' ' 41' ' ' LEU . 8.2 mp -99.84 42.43 1.11 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.869 -1.144 . . . . 0.0 108.801 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.407 ' OG ' ' OE1' ' B' ' 48' ' ' GLN . 0.3 OUTLIER -60.02 -45.22 93.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.458 0.647 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.3 t -85.16 -19.5 31.68 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.474 -0.766 . . . . 0.0 111.863 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 1.9 t80 -89.72 -92.16 0.13 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.469 -1.395 . . . . 0.0 113.318 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.554 ' N ' ' CG ' ' B' ' 44' ' ' PHE . 2.0 tp -36.91 157.4 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.403 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 33.2 t0 -93.54 102.84 15.05 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 122.437 2.38 . . . . 0.0 108.888 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -142.68 -55.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 O-C-N 120.586 -1.321 . . . . 0.0 110.065 179.249 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.462 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.3 pt20 -82.22 -35.92 27.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.764 -1.21 . . . . 0.0 109.772 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.582 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -68.92 -22.27 64.16 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.091 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 76.9 m-20 -141.42 91.91 2.42 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.87 70.22 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.95 -38.71 83.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.27 77.09 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.64 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -38.9 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.318 -1.488 . . . . 0.0 107.96 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -61.3 -40.14 93.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.329 -0.857 . . . . 0.0 110.793 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.49 -40.06 94.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.436 -1.415 . . . . 0.0 109.477 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.534 ' CG1' HD22 ' Y' ' 8' ' ' ASN . 41.5 mt -70.8 -51.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.461 0.648 . . . . 0.0 111.789 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.421 ' O ' ' N ' ' B' ' 62' ' ' ASP . 3.0 tpt -60.65 -42.37 96.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.042 -1.036 . . . . 0.0 109.976 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.38 98.97 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.95 -26.43 67.52 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.556 ' C ' ' H ' ' B' ' 63' ' ' GLU . 42.6 mt -96.27 -20.19 18.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 110.488 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' B' ' 58' ' ' MET . 94.5 m-20 -74.31 42.1 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.78 -1.2 . . . . 0.0 108.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.556 ' H ' ' C ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -60.07 -40.08 88.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.8 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.94 -19.17 61.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.59 32.38 64.53 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -93.91 -6.35 45.81 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.345 -1.091 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.55 6.56 66.54 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -127.0 175.13 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.403 ' O ' ' CB ' ' B' ' 28' ' ' LEU . 5.3 t -134.96 130.75 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 O-C-N 120.258 -1.526 . . . . 0.0 109.064 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 70' ' ' ASP . 0.9 OUTLIER -97.82 155.7 16.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.677 -1.264 . . . . 0.0 108.735 -179.655 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 26.5 t80 -52.65 -22.74 5.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.563 -0.711 . . . . 0.0 109.304 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 61.7 tt0 -80.64 -22.52 40.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.865 179.066 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 77.9 mt-10 -81.11 -51.33 8.58 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.288 -0.882 . . . . 0.0 109.626 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -76.94 -41.68 42.35 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.343 -178.856 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.531 ' CG2' ' CE1' ' B' ' 71' ' ' PHE . 78.4 t -53.83 -38.67 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.041 -1.662 . . . . 0.0 108.104 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.9 t -60.05 -37.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.667 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.542 ' O ' ' N ' ' B' ' 80' ' ' ALA . 0.5 OUTLIER -69.96 -55.97 8.24 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -177.182 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 17.3 m -49.95 -35.54 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 120.602 -1.311 . . . . 0.0 107.607 -179.363 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -63.17 -39.58 95.07 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 176.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.542 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -78.11 -24.29 47.57 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 81.0 mt -85.54 -47.12 10.19 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 119.577 -1.952 . . . . 0.0 109.559 -178.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -56.59 -42.18 78.25 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.396 -0.815 . . . . 0.0 110.953 178.689 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.407 ' CG2' ' N ' ' B' ' 84' ' ' ALA . 28.4 m -60.18 -43.27 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.551 -1.343 . . . . 0.0 108.733 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.407 ' N ' ' CG2' ' B' ' 83' ' ' VAL . . . -60.87 -30.61 70.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.488 -0.757 . . . . 0.0 108.987 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.2 -39.22 82.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.509 -0.745 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.412 ' ND2' ' OH ' ' A' ' 26' ' ' TYR . 57.8 t-20 -60.14 -39.52 86.6 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 108.921 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.121 -0.987 . . . . 0.0 109.398 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.443 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 63.7 t80 -82.94 -4.29 58.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.53 -0.731 . . . . 0.0 109.684 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.504 ' CE2' ' ND2' ' B' ' 92' ' ' ASN . 59.9 t80 -81.19 -8.99 59.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.124 -0.985 . . . . 0.0 109.071 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -62.04 -8.24 5.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.367 -0.833 . . . . 0.0 109.706 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.94 -18.85 48.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 0.0 109.41 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.504 ' ND2' ' CE2' ' B' ' 89' ' ' PHE . 37.0 p-10 -89.92 -0.04 57.34 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.261 -0.9 . . . . 0.0 109.756 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.873 -1.06 . . . . 0.0 109.373 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.444 0.64 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -80.02 -68.73 0.65 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.291 -0.88 . . . . 0.0 109.118 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -164.32 151.07 11.31 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.06 -1.025 . . . . 0.0 109.972 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.527 ' CD ' ' N ' ' X' ' 4' ' ' LYS . 2.5 mptp? -78.63 159.02 28.28 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 8.5 pt -91.58 125.9 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.902 -1.123 . . . . 0.0 110.251 -178.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -120.8 28.18 8.08 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.584 ' O ' ' N ' ' X' ' 10' ' ' ILE . 61.8 t90 -59.98 -50.25 74.48 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.134 -0.979 . . . . 0.0 111.398 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.57 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 13.3 t-20 -52.88 -27.94 20.88 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 119.275 -2.141 . . . . 0.0 107.884 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -24.59 63.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.584 ' N ' ' O ' ' X' ' 7' ' ' TRP . 6.6 tt -53.29 -37.06 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 53.7 tp -65.68 -41.1 92.84 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.941 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.048 179.539 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.631 ' H2 ' ' NH1' ' Y' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.631 ' NH1' ' H2 ' ' Y' ' 1' ' ' THR . 2.4 mpt_? -133.35 153.34 51.68 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.568 -0.708 . . . . 0.0 109.61 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' Y' ' 2' ' ' ARG . 2.8 p 66.61 5.83 4.1 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.632 -0.668 . . . . 0.0 109.747 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -169.1 163.46 11.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.202 -0.936 . . . . 0.0 109.29 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 24.2 pt -136.13 136.35 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -132.52 21.84 4.32 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.297 -0.877 . . . . 0.0 109.575 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.618 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 20.5 p-90 -58.82 -40.25 83.6 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.713 -1.242 . . . . 0.0 108.056 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.473 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 22.8 t-20 -51.25 -30.55 18.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.072 -1.642 . . . . 0.0 107.846 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' Y' ' 12' ' ' SER . 56.9 tttm -59.79 -24.91 64.5 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.618 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -49.04 -40.08 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 64.0 tp -63.5 -40.05 96.04 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . 0.473 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.9 m . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.275 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.484 2.553 . . . . 0.0 119.484 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -102.08 22.32 13.34 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.462 -1.022 . . . . 0.0 109.568 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.38 89.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.038 -1.039 . . . . 0.0 110.683 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.4 -41.83 98.97 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.454 -1.404 . . . . 0.0 108.866 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.96 -38.99 87.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.528 -0.732 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.0 m -52.7 -44.56 66.37 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.475 0.655 . . . . 0.0 110.5 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.4 65.53 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ttt -71.33 -49.31 43.85 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.26 -1.525 . . . . 0.0 110.784 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.93 -24.6 63.39 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.686 -0.634 . . . . 0.0 110.577 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.44 -58.99 3.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 109.998 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 7.2 mp -47.91 -36.57 12.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.504 -1.372 . . . . 0.0 109.105 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.33 -39.97 79.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 O-C-N 121.387 -0.82 . . . . 0.0 112.26 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -83.57 -43.63 15.48 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 119.703 -1.873 . . . . 0.0 113.295 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.2 p -62.29 -41.86 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.312 -1.492 . . . . 0.0 109.014 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.493 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 7.8 m-30 -63.04 -39.37 94.55 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.125 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -60.21 -39.97 88.45 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.93 -1.106 . . . . 0.0 109.857 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.5 -55.39 16.24 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.902 . . . . 0.0 112.557 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.52 -41.23 55.72 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.993 -1.067 . . . . 0.0 111.371 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.9 t -62.35 -23.54 66.84 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.475 -0.766 . . . . 0.0 112.417 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.39 2.2 32.77 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.69 ' C ' ' H ' ' A' ' 23' ' ' GLY . 35.4 ttmt -124.65 -75.9 0.59 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.533 -0.981 . . . . 0.0 108.999 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -57.29 15.26 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.8 -1.187 . . . . 0.0 110.716 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.69 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -166.65 163.84 37.28 Favored Glycine 0 N--CA 1.485 1.911 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 31.2 t0 -77.72 162.17 27.18 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.503 -0.998 . . . . 0.0 108.64 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 27.7 tptp -67.76 84.45 0.2 Allowed 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ASP . 58.3 t80 -146.89 -55.0 0.24 Allowed 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.903 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.412 ' CG ' ' H ' ' A' ' 28' ' ' LEU . 3.0 ttpt -178.72 -176.35 0.46 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.098 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.412 ' H ' ' CG ' ' A' ' 27' ' ' LYS . 2.2 tp -87.18 105.19 17.03 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 179.791 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.584 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 60.4 m -70.45 156.01 39.93 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.168 -1.583 . . . . 0.0 108.118 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.498 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.0 tttt -42.94 -30.35 0.4 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.594 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -25.54 28.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.654 -1.279 . . . . 0.0 109.643 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.584 ' CD ' ' H ' ' A' ' 29' ' ' SER . 36.6 mt-10 -69.98 -42.42 73.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.804 -1.185 . . . . 0.0 109.898 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.441 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 3.8 pp -65.18 -41.7 94.36 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.103 0.954 . . . . 0.0 109.765 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.441 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 80.1 tttt -61.57 -46.88 88.01 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.59 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.461 ' O ' ' OG1' ' A' ' 39' ' ' THR . 54.9 t0 -68.61 -38.69 80.81 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.656 0.741 . . . . 0.0 110.423 -178.398 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.8 tp -60.94 -39.2 88.56 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.492 -0.755 . . . . 0.0 111.144 -179.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -81.44 -48.76 11.47 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -65.8 -27.45 68.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.093 -1.004 . . . . 0.0 111.636 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 96.6 m -59.03 -46.18 88.87 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.17 -175.352 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -107.91 -15.26 14.58 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.296 -0.878 . . . . 0.0 111.696 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 22.6 mt -131.53 49.03 2.36 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.085 -1.009 . . . . 0.0 109.611 -179.407 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.548 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 45.4 t -63.28 -49.98 71.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.609 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -64.24 -40.4 95.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.444 -0.785 . . . . 0.0 111.565 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' O ' ' O ' ' A' ' 45' ' ' LEU . 37.5 t80 -86.48 -101.28 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.701 -1.25 . . . . 0.0 111.068 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.604 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -8.54 133.89 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.079 0 CA-C-O 114.993 -2.432 . . . . 0.0 109.629 177.797 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.57 ' OD2' ' N ' ' X' ' 8' ' ' ASN . 42.3 m-20 -88.81 118.63 28.65 Favored 'General case' 0 N--CA 1.521 3.099 1 CA-C-N 127.785 4.811 . . . . 0.0 109.237 176.176 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 71.5 t -146.9 -83.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.912 -1.117 . . . . 0.0 110.271 179.601 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.528 ' NE2' ' OG ' ' A' ' 42' ' ' SER . 12.4 pt20 -63.31 -41.64 98.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.419 -0.801 . . . . 0.0 112.058 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.548 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 20.5 mtmm -60.81 -39.09 87.65 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 120.697 -1.252 . . . . 0.0 108.12 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -123.26 91.37 3.47 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.25 70.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.26 -39.81 88.13 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.07 79.49 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.691 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -37.38 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.491 -1.381 . . . . 0.0 109.005 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.498 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 95.5 m-20 -64.7 -42.16 95.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.148 -0.97 . . . . 0.0 110.791 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.82 -39.64 93.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.986 -1.071 . . . . 0.0 109.581 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 5.7 mm -66.23 -56.55 14.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.692 -0.63 . . . . 0.0 111.618 -178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -62.45 -36.14 81.5 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.038 -1.039 . . . . 0.0 111.586 -178.009 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -60.05 -41.95 93.4 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.16 -23.55 64.02 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.565 ' C ' ' H ' ' A' ' 63' ' ' GLU . 32.5 mt -96.65 -25.2 15.66 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 110.476 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 58' ' ' MET . 13.0 t0 -73.01 50.17 0.26 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.565 ' H ' ' C ' ' A' ' 61' ' ' LEU . 93.8 mt-10 -60.04 -40.18 88.49 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.912 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -78.39 -20.88 50.24 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.0 39.14 28.53 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 107.009 -2.436 . . . . 0.0 107.009 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' A' ' 66' ' ' ASP . 31.1 p-10 -94.27 -12.48 28.03 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.602 -0.94 . . . . 0.0 112.078 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.12 0.44 80.61 Favored Glycine 0 N--CA 1.504 3.221 0 O-C-N 120.788 -1.195 . . . . 0.0 110.928 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 37.7 mp0 -137.89 177.93 7.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.629 -1.512 . . . . 0.0 107.872 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.15 132.21 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.443 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' GLU . 29.6 t0 -95.87 147.78 23.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.409 -0.807 . . . . 0.0 109.128 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 13.5 t80 -46.58 -26.96 0.99 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.52 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -77.59 -29.2 51.9 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.931 -1.106 . . . . 0.0 108.808 177.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.3 mt-10 -83.44 -45.92 13.1 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 122.24 1.019 . . . . 0.0 109.109 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -60.42 -49.88 75.81 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.641 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.505 ' CG2' ' CE1' ' A' ' 71' ' ' PHE . 55.9 t -61.2 -39.98 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.776 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.4 t -56.35 -30.47 30.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.7 -1.25 . . . . 0.0 108.673 179.054 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -78.98 -56.06 4.67 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.338 -0.851 . . . . 0.0 112.792 -177.888 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 3.9 m -51.46 -34.06 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.433 -1.417 . . . . 0.0 109.177 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.01 -39.83 63.34 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.538 178.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.8 -24.76 55.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.088 -1.007 . . . . 0.0 113.148 -176.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.5 pp -83.56 -40.09 19.56 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 119.762 -1.836 . . . . 0.0 109.906 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.4 t -59.82 -41.51 91.47 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.33 -0.856 . . . . 0.0 110.343 179.228 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 6.8 m -58.89 -40.05 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.53 -25.83 64.22 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.49 -39.96 81.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 109.585 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -60.02 -39.85 87.25 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.428 -0.795 . . . . 0.0 109.321 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.97 -39.85 87.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.412 -0.805 . . . . 0.0 110.089 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 6.6 t80 -89.11 -5.57 57.7 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.16 -0.963 . . . . 0.0 109.508 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CE2' ' O ' ' A' ' 93' ' ' SER . 28.0 t80 -89.85 -3.86 57.88 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 108.937 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.98 -39.85 87.1 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.615 -0.678 . . . . 0.0 109.699 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -67.86 -39.92 83.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.229 -0.919 . . . . 0.0 109.817 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.72 5.4 24.87 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.193 -0.942 . . . . 0.0 109.638 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.417 ' O ' ' CE2' ' A' ' 89' ' ' PHE . 35.2 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.611 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.846 0 N-CA-C 119.489 2.556 . . . . 0.0 119.489 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -102.17 22.01 13.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.568 -0.96 . . . . 0.0 109.25 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.9 -40.64 89.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -0.95 . . . . 0.0 110.639 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.34 -41.89 98.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.541 -1.349 . . . . 0.0 108.747 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.77 -39.25 88.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.84 . . . . 0.0 109.027 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' B' ' 10' ' ' THR . 23.5 m -52.54 -44.47 65.82 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.506 0.67 . . . . 0.0 110.703 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.99 64.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ttt -71.65 -49.2 42.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.295 -1.503 . . . . 0.0 110.666 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.86 -24.23 63.4 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.58 -0.7 . . . . 0.0 110.596 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -68.93 -58.75 3.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.12 . . . . 0.0 110.038 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 7.2 mp -48.3 -36.48 14.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.376 -1.452 . . . . 0.0 108.919 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -69.38 -39.91 79.4 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 O-C-N 121.47 -0.769 . . . . 0.0 112.53 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -83.52 -43.74 15.42 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.676 -1.89 . . . . 0.0 113.448 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.42 HG12 ' H ' ' B' ' 15' ' ' PHE . 2.2 p -62.23 -41.68 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.404 -1.435 . . . . 0.0 108.975 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.506 ' CG ' ' O ' ' B' ' 11' ' ' LEU . 7.7 m-30 -63.2 -39.64 95.21 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.086 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -59.89 -40.01 87.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.18 -55.56 14.67 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.236 -0.915 . . . . 0.0 112.598 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -75.66 -41.26 54.46 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.114 -0.991 . . . . 0.0 111.477 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.0 t -62.07 -23.94 66.8 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.325 -0.859 . . . . 0.0 112.437 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.26 2.25 33.03 Favored Glycine 0 N--CA 1.504 3.206 0 O-C-N 120.732 -1.23 . . . . 0.0 110.092 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.686 ' C ' ' H ' ' B' ' 23' ' ' GLY . 35.7 ttmt -124.67 -75.64 0.6 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.455 -1.026 . . . . 0.0 108.949 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.43 15.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.748 -1.22 . . . . 0.0 110.795 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.686 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -166.45 164.2 37.47 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 31.8 t0 -78.01 162.24 26.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.575 -0.956 . . . . 0.0 108.597 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 27.6 tptp -67.87 83.77 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' B' ' 24' ' ' ASP . 60.9 t80 -146.12 -55.28 0.28 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.999 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.408 ' CG ' ' H ' ' B' ' 28' ' ' LEU . 3.2 ttpt -178.49 -176.72 0.51 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.059 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.408 ' H ' ' CG ' ' B' ' 27' ' ' LYS . 2.0 tp -86.61 105.45 16.88 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.753 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.58 ' H ' ' CD ' ' B' ' 32' ' ' GLU . 67.4 m -70.77 156.08 39.97 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.167 -1.583 . . . . 0.0 108.04 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.512 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 66.3 tttt -43.14 -30.35 0.45 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -25.51 28.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.622 -1.298 . . . . 0.0 109.701 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.58 ' CD ' ' H ' ' B' ' 29' ' ' SER . 36.3 mt-10 -69.97 -42.42 73.15 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.654 -1.279 . . . . 0.0 109.851 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.447 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 3.7 pp -65.17 -41.6 94.49 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.162 0.982 . . . . 0.0 109.879 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.447 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 79.2 tttt -61.81 -46.83 87.8 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.538 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.47 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 t0 -68.68 -38.61 80.49 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.729 0.776 . . . . 0.0 110.401 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 27.7 tp -61.07 -39.0 88.22 Favored 'General case' 0 C--N 1.286 -2.188 0 O-C-N 121.474 -0.766 . . . . 0.0 111.273 -179.273 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -81.54 -48.81 11.33 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.967 -1.083 . . . . 0.0 113.674 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.77 -27.26 68.16 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.102 0.954 . . . . 0.0 111.727 -176.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.47 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 97.0 m -59.13 -46.48 88.24 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.027 -175.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -107.69 -15.29 14.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.307 -0.871 . . . . 0.0 111.714 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 mt -131.1 48.12 2.46 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.084 -1.01 . . . . 0.0 109.789 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.525 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 45.2 t -62.92 -50.26 71.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.766 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.5 t -64.18 -40.01 95.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.798 . . . . 0.0 111.531 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.556 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.4 t80 -87.7 -87.77 0.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.598 -1.314 . . . . 0.0 112.12 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.556 ' C ' ' O ' ' B' ' 44' ' ' PHE . 0.2 OUTLIER -31.06 141.01 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.859 0 CA-C-O 116.85 -1.547 . . . . 0.0 108.326 -174.899 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' Y' ' 7' ' ' TRP . 48.3 m-20 -88.97 116.82 27.54 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 125.055 3.571 . . . . 0.0 108.712 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 76.1 t -146.51 -82.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.076 -1.015 . . . . 0.0 110.223 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.501 ' NE2' ' OG ' ' B' ' 42' ' ' SER . 12.7 pt20 -63.56 -41.68 98.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.547 -0.72 . . . . 0.0 112.027 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.525 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 21.5 mtmm -60.56 -39.5 88.2 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.893 -1.129 . . . . 0.0 107.976 179.004 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 89.6 m-20 -123.48 91.39 3.47 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.63 70.55 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.23 -39.96 88.53 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.06 80.2 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 118.976 -1.09 . . . . 0.0 109.502 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -37.73 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.634 -1.291 . . . . 0.0 108.952 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.512 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.3 m-20 -64.47 -42.41 95.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 0.0 110.899 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.52 -40.0 94.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.047 -1.033 . . . . 0.0 109.619 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.404 HD13 HD22 ' Y' ' 8' ' ' ASN . 5.6 mm -65.99 -56.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.861 -0.524 . . . . 0.0 111.745 -178.161 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -62.67 -36.24 82.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.998 -1.064 . . . . 0.0 111.395 -177.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -59.95 -42.41 94.0 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.42 ' OE2' ' OG ' ' Y' ' 12' ' ' SER . 96.2 mt-10 -60.33 -21.92 62.62 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.175 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.581 ' C ' ' H ' ' B' ' 63' ' ' GLU . 34.0 mt -97.84 -25.5 15.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.584 -0.698 . . . . 0.0 110.322 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' B' ' 58' ' ' MET . 13.5 t0 -72.97 50.12 0.26 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.581 ' H ' ' C ' ' B' ' 61' ' ' LEU . 93.5 mt-10 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.059 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -78.44 -21.04 49.75 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.01 39.24 28.26 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 106.899 -2.48 . . . . 0.0 106.899 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 33.1 p-10 -94.21 -12.51 28.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.663 -0.904 . . . . 0.0 112.064 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.8 80.94 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.774 -1.204 . . . . 0.0 110.992 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 38.1 mp0 -138.04 178.21 7.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.508 -1.584 . . . . 0.0 107.842 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -121.36 132.11 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 0.0 109.422 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' B' ' 73' ' ' GLU . 29.8 t0 -95.88 147.7 23.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.127 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 13.2 t80 -46.25 -27.23 0.96 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.595 -0.691 . . . . 0.0 109.476 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -77.61 -28.94 51.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.9 -1.125 . . . . 0.0 108.79 177.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-10 -83.67 -45.96 12.84 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.266 1.032 . . . . 0.0 108.916 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 31.9 t80 -60.5 -49.81 76.07 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.76 -179.314 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.519 ' CG2' ' CE1' ' B' ' 71' ' ' PHE . 54.7 t -61.26 -40.01 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.519 -0.738 . . . . 0.0 110.741 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 46.6 t -55.88 -30.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 O-C-N 120.661 -1.274 . . . . 0.0 108.76 178.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.03 -56.23 4.54 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.369 -0.832 . . . . 0.0 112.796 -177.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 3.5 m -51.18 -33.81 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.412 -1.43 . . . . 0.0 109.197 -179.434 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.651 178.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.417 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -76.51 -24.7 53.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.408 ' HG ' ' H ' ' B' ' 82' ' ' THR . 2.7 pp -83.15 -39.97 20.34 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 119.719 -1.863 . . . . 0.0 109.827 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.408 ' H ' ' HG ' ' B' ' 81' ' ' LEU . 2.2 t -60.04 -42.16 93.84 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 8.8 m -58.58 -39.82 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -70.04 -25.5 63.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.378 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.52 -39.95 80.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.222 -0.924 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.93 -39.89 87.01 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.303 -0.873 . . . . 0.0 109.261 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.07 -39.87 87.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.863 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 6.1 t80 -89.06 -5.33 57.95 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.066 -1.021 . . . . 0.0 109.648 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' B' ' 93' ' ' SER . 27.7 t80 -90.0 -3.98 57.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.071 -1.018 . . . . 0.0 108.926 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -60.01 -39.95 87.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.524 -0.735 . . . . 0.0 109.568 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -67.6 -39.84 84.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.184 -0.948 . . . . 0.0 109.946 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -83.73 5.43 24.77 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.22 -0.925 . . . . 0.0 109.672 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.412 ' O ' ' CE2' ' B' ' 89' ' ' PHE . 34.4 t . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.81 -1.09 . . . . 0.0 109.69 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' X' ' 3' ' ' THR . 65.3 ttt-85 -89.04 52.89 2.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.072 -1.018 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 3' ' ' THR . . . . . 0.412 ' CG2' ' OD1' ' X' ' 6' ' ' ASP . 39.6 m 44.25 82.91 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.112 -0.992 . . . . 0.0 110.074 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.513 ' CD ' ' N ' ' X' ' 4' ' ' LYS . 1.5 mptp? -61.63 -50.88 70.78 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.254 -0.904 . . . . 0.0 110.464 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 50.7 pt -145.4 -39.64 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.816 -1.178 . . . . 0.0 110.645 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 5.6 p-10 37.92 24.76 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.423 -0.798 . . . . 0.0 110.559 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.569 ' O ' ' N ' ' X' ' 10' ' ' ILE . 46.3 t90 -60.94 -52.79 63.52 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.874 -1.141 . . . . 0.0 110.493 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' X' ' 11' ' ' LEU . 1.7 t30 -52.44 -29.51 24.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 119.578 -1.951 . . . . 0.0 108.263 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -54.82 -24.95 25.22 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.569 ' N ' ' O ' ' X' ' 7' ' ' TRP . 4.0 tt -53.55 -38.3 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.468 ' N ' ' O ' ' X' ' 8' ' ' ASN . 38.4 tp -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.146 179.597 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 2.8 m . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 66.1 mtp85 49.85 -147.7 0.33 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.176 -0.953 . . . . 0.0 109.232 179.695 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 66.6 p -84.14 160.14 20.94 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.772 -1.205 . . . . 0.0 109.851 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.505 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 4.9 mptp? -83.56 53.72 2.62 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.505 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 0.1 OUTLIER 45.52 102.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 CA-C-O 122.424 1.107 . . . . 0.0 109.604 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -123.78 28.11 7.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.841 -1.162 . . . . 0.0 107.972 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.615 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 7.7 p-90 -58.07 -44.42 87.5 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.817 -1.177 . . . . 0.0 109.032 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.512 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 12.4 t-20 -51.24 -28.64 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 119.857 -1.777 . . . . 0.0 107.952 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -58.09 -26.12 62.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.615 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -49.79 -39.88 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 177.481 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 29.2 tp -70.16 -39.95 75.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.704 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 1.4 p . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.958 0 N-CA-C 119.308 2.483 . . . . 0.0 119.308 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -107.02 -104.41 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.752 -1.44 . . . . 0.0 110.162 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.91 -42.71 94.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.715 -1.241 . . . . 0.0 111.76 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.97 -41.18 74.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.696 -1.252 . . . . 0.0 111.138 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -67.07 -37.08 83.37 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.22 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -59.87 -47.13 86.99 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.08 -27.23 64.45 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.6 ppp? -75.87 -44.62 39.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 119.97 -1.707 . . . . 0.0 109.849 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.44 -36.39 71.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.274 -0.891 . . . . 0.0 110.864 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -61.5 -54.93 36.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.476 -1.39 . . . . 0.0 109.772 -178.616 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 10' ' ' THR . 9.0 mp -47.92 -40.24 21.41 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.269 -1.519 . . . . 0.0 108.276 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.71 -27.93 43.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 O-C-N 120.772 -1.205 . . . . 0.0 109.346 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 10' ' ' THR . 59.5 t-20 -76.26 -56.18 4.88 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.14 -0.975 . . . . 0.0 112.069 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 2.5 p -62.21 -46.11 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.503 -0.748 . . . . 0.0 110.389 -178.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.493 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 19.6 m-85 -59.98 -40.13 88.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.258 -0.901 . . . . 0.0 109.899 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -59.98 -38.65 83.16 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.023 -1.673 . . . . 0.0 109.909 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.48 21.64 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.411 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 87.4 m-70 -82.98 -41.68 18.48 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.678 -1.263 . . . . 0.0 111.637 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -60.43 -33.98 73.31 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.12 10.21 58.25 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 120.784 -1.198 . . . . 0.0 111.028 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.405 ' HZ1' ' HG2' ' A' ' 22' ' ' GLU . 26.1 ttpp -122.95 -70.81 0.75 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.301 -1.117 . . . . 0.0 110.003 -179.289 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 70.2 mm-40 -78.6 51.17 1.04 Allowed 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.764 -1.21 . . . . 0.0 109.338 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.98 -142.49 7.26 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.63 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 68' ' ' GLU . 96.2 m-20 -83.6 158.33 21.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.757 -0.849 . . . . 0.0 110.927 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -51.97 -59.85 3.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.767 -0.583 . . . . 0.0 111.258 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.29 26.56 9.99 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 121.263 -0.898 . . . . 0.0 111.968 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -140.34 146.35 38.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 108.476 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.03 165.05 12.83 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.602 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 73.8 m -131.89 162.24 31.1 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.062 -1.024 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -47.5 -38.56 14.14 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.287 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -79.94 -27.26 39.83 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 119.574 -1.954 . . . . 0.0 110.342 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 51.9 mt-10 -69.23 -40.04 78.19 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 121.168 -0.958 . . . . 0.0 110.374 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.9 -40.95 87.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.934 -1.104 . . . . 0.0 110.859 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 119.849 -0.741 . . . . 0.0 112.223 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' O ' ' OG1' ' A' ' 39' ' ' THR . 1.9 p30 -81.18 -34.02 32.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.567 -1.333 . . . . 0.0 111.147 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.437 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 26.3 tp -61.75 -51.46 68.23 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.911 -1.118 . . . . 0.0 109.319 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.01 -41.63 74.07 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.954 0.883 . . . . 0.0 111.267 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -69.61 -39.99 76.88 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.768 0.794 . . . . 0.0 111.737 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.5 m -60.12 -49.66 76.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.556 -0.715 . . . . 0.0 111.564 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' O ' ' N ' ' B' ' 1' ' ' GLY . 98.3 mt-10 -99.94 -17.04 17.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.145 -0.972 . . . . 0.0 111.771 -177.535 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -135.81 57.51 1.78 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.843 -1.161 . . . . 0.0 110.332 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.5 p -70.0 -42.11 73.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.254 -0.904 . . . . 0.0 110.107 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.442 ' HA ' ' HZ1' ' A' ' 49' ' ' LYS . 35.8 t -72.33 -43.89 63.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.384 -0.822 . . . . 0.0 111.984 -178.03 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.582 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -81.8 -105.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.513 -1.367 . . . . 0.0 111.127 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.582 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.1 OUTLIER -9.13 129.51 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 0 CA-C-O 115.036 -2.411 . . . . 0.0 109.257 178.009 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.579 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.5 p-10 -91.44 110.09 21.39 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-N 127.807 4.821 . . . . 0.0 110.313 177.423 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 11.5 m -144.79 -41.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.22 -1.55 . . . . 0.0 110.754 179.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.77 -44.13 7.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.02 -1.05 . . . . 0.0 111.581 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' HZ1' ' HA ' ' A' ' 43' ' ' SER . 54.6 mtmt -66.41 -19.14 65.72 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.919 -1.113 . . . . 0.0 108.122 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.28 88.11 2.19 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.87 78.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.422 -0.799 . . . . 0.0 109.027 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.82 -39.89 86.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.69 -40.07 78.64 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.458 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -38.27 82.16 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 O-C-N 120.803 -1.185 . . . . 0.0 108.853 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.825 -1.172 . . . . 0.0 109.383 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -64.43 -40.12 95.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.322 -0.861 . . . . 0.0 109.478 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.7 mt -67.71 -56.11 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.693 -0.63 . . . . 0.0 111.644 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -39.46 86.73 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.906 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.54 91.08 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.56 -28.51 69.69 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.555 ' C ' ' H ' ' A' ' 63' ' ' GLU . 5.3 mt -86.74 -29.73 22.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.498 -0.752 . . . . 0.0 110.528 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 12.5 t0 -70.69 50.33 0.13 Allowed 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 61' ' ' LEU . 99.8 mt-10 -59.75 -39.92 86.38 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.6 -19.28 62.86 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.16 32.4 23.23 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 11.3 m-20 -93.06 -123.73 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.8 22.14 0.27 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 107.017 -2.433 . . . . 0.0 107.017 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' OE2' ' OD2' ' A' ' 24' ' ' ASP . 40.0 mt-10 -133.27 175.08 9.72 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.9 t -128.39 130.01 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.879 -1.138 . . . . 0.0 108.048 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.4 168.65 10.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.12 -0.987 . . . . 0.0 108.789 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -32.09 69.68 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -74.54 -29.24 61.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.443 -1.411 . . . . 0.0 109.933 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 92.4 mt-10 -83.35 -36.85 24.06 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 122.133 0.968 . . . . 0.0 109.385 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.05 -44.24 48.79 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.98 0.895 . . . . 0.0 110.956 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 p -60.03 -40.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.984 -177.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 73' ' ' GLU . 10.9 m -61.84 -30.75 49.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.354 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -69.98 -58.22 4.1 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.309 -0.869 . . . . 0.0 111.734 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.8 m -58.7 -31.12 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.192 -0.942 . . . . 0.0 110.07 -179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.87 -40.13 69.17 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-O 121.82 0.819 . . . . 0.0 111.013 179.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.95 -26.64 48.93 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -176.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 3.0 pp -85.19 -39.59 17.65 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 119.908 -1.745 . . . . 0.0 110.433 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -54.02 -49.93 67.79 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.057 -1.027 . . . . 0.0 109.435 178.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.434 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 10.4 m -55.68 -40.24 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 CA-C-O 121.891 0.853 . . . . 0.0 108.825 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.29 -22.64 66.87 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.653 -0.654 . . . . 0.0 109.821 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.9 t -69.84 -40.01 76.08 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.187 -0.945 . . . . 0.0 110.629 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.608 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.8 OUTLIER -66.4 -40.2 89.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.75 -1.219 . . . . 0.0 109.413 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.608 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 26.3 t-20 -65.62 -37.76 87.5 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.475 -0.766 . . . . 0.0 110.734 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CE1' ' OE2' ' A' ' 91' ' ' GLU . 21.4 t80 -88.61 -6.84 57.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 110.458 -177.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -94.99 -19.87 19.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.06 -1.025 . . . . 0.0 109.831 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -87.9 -14.77 38.48 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.211 -0.93 . . . . 0.0 110.596 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' OE2' ' CE1' ' A' ' 88' ' ' PHE . 14.6 pt-20 -74.96 156.79 35.92 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.611 -1.306 . . . . 0.0 109.069 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.4 m120 53.75 29.92 10.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.412 -0.805 . . . . 0.0 108.975 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.526 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.473 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.531 4.999 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -107.03 -104.24 0.34 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.704 -1.468 . . . . 0.0 110.201 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.9 -43.0 95.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.646 -1.284 . . . . 0.0 111.583 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.74 -41.23 75.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.795 -1.191 . . . . 0.0 111.425 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.05 -36.66 82.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.611 -1.306 . . . . 0.0 109.357 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 97.3 m -59.91 -47.53 85.41 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.417 -0.802 . . . . 0.0 110.312 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -27.35 64.66 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.5 ppp? -75.36 -45.03 41.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.985 -1.697 . . . . 0.0 109.827 -178.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -71.43 -36.51 71.32 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 111.051 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.492 ' O ' ' N ' ' B' ' 13' ' ' ASN . 0.6 OUTLIER -61.06 -55.13 36.28 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.578 -1.326 . . . . 0.0 109.855 -178.724 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.442 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.9 mp -47.96 -40.14 21.4 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.246 -1.534 . . . . 0.0 108.228 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.77 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.78 -1.2 . . . . 0.0 109.391 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 10' ' ' THR . 60.5 t-20 -76.31 -55.98 5.06 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.028 -1.045 . . . . 0.0 112.0 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 2.8 p -62.3 -46.23 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 O-C-N 121.414 -0.804 . . . . 0.0 110.356 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.483 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 19.9 m-85 -59.88 -40.0 87.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.853 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -60.34 -38.44 83.8 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.956 -1.715 . . . . 0.0 109.745 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.09 -56.47 21.75 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.407 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 87.2 m-70 -82.92 -41.7 18.57 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.625 -1.297 . . . . 0.0 111.769 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -60.52 -33.69 73.0 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 10.08 57.77 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.713 -1.242 . . . . 0.0 110.965 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -122.85 -71.09 0.74 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.289 -1.124 . . . . 0.0 109.981 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 32' ' ' GLU . 70.4 mm-40 -78.11 51.04 0.95 Allowed 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.782 -1.199 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.76 -142.35 7.21 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.302 -1.428 . . . . 0.0 111.746 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.35 158.05 22.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.751 -0.852 . . . . 0.0 110.929 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -52.16 -59.9 3.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.678 -0.639 . . . . 0.0 111.018 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -114.9 25.92 10.56 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.244 -0.91 . . . . 0.0 112.019 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -140.16 146.3 38.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.685 -1.259 . . . . 0.0 108.515 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -93.86 165.08 12.85 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.8 -177.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.439 ' N ' ' OE1' ' B' ' 32' ' ' GLU . 73.1 m -131.84 162.17 31.2 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.982 -1.074 . . . . 0.0 111.125 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -47.68 -38.27 14.68 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.31 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -80.09 -27.39 39.28 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.639 -1.913 . . . . 0.0 110.34 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.457 ' CG ' ' O ' ' B' ' 22' ' ' GLU . 51.6 mt-10 -69.12 -40.3 78.39 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.093 -1.004 . . . . 0.0 110.199 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 pp -66.71 -41.13 88.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -59.97 -40.09 87.86 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.151 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 1.8 p30 -80.75 -34.04 34.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.654 -1.278 . . . . 0.0 111.377 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.418 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 30.9 tp -61.62 -51.47 68.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.696 -1.252 . . . . 0.0 109.219 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.15 -41.69 73.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.899 0.857 . . . . 0.0 111.223 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -69.53 -40.15 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.787 0.803 . . . . 0.0 111.829 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 93.6 m -59.87 -49.82 76.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.477 -0.765 . . . . 0.0 111.586 -176.13 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 1' ' ' GLY . 97.9 mt-10 -99.81 -17.03 17.86 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.056 -1.028 . . . . 0.0 111.732 -177.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 88.6 mt -135.5 57.61 1.79 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.779 -1.201 . . . . 0.0 110.347 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 99.8 p -69.95 -42.38 73.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 0.0 110.177 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 38.7 t -72.31 -43.19 64.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.823 . . . . 0.0 112.069 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.542 ' O ' ' C ' ' B' ' 45' ' ' LEU . 36.6 t80 -82.82 -92.78 0.07 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.479 -1.388 . . . . 0.0 112.312 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.542 ' C ' ' O ' ' B' ' 44' ' ' PHE . 0.1 OUTLIER -31.47 136.48 0.05 Allowed 'General case' 0 N--CA 1.515 2.824 0 CA-C-O 116.889 -1.529 . . . . 0.0 107.988 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.539 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 52.6 p-10 -91.28 109.33 20.6 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 124.957 3.526 . . . . 0.0 109.936 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 13.3 m -144.92 -40.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.434 -1.416 . . . . 0.0 110.333 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -97.14 -44.21 7.05 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.15 -0.969 . . . . 0.0 111.65 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt -66.36 -19.39 65.79 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.86 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -140.09 88.14 2.2 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.87 77.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.07 -39.84 87.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.53 -41.07 80.16 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 118.871 -1.131 . . . . 0.0 109.236 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -38.39 82.41 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.499 0 O-C-N 120.865 -1.147 . . . . 0.0 109.083 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.87 -40.24 87.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.318 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -64.51 -39.95 94.72 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.97 -55.88 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.686 -0.634 . . . . 0.0 111.664 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -39.66 86.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.2 -0.938 . . . . 0.0 109.869 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -40.48 91.47 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.452 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 79.0 tt0 -65.7 -26.11 67.62 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.0 mt -88.34 -29.78 20.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.457 -0.777 . . . . 0.0 110.286 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 12.8 t0 -71.0 50.82 0.14 Allowed 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.9 mt-10 -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.29 -19.58 63.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.07 32.64 22.89 Favored Glycine 0 N--CA 1.482 1.732 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 11.8 m-20 -93.11 -123.77 0.09 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.47 22.11 0.28 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 106.984 -2.446 . . . . 0.0 106.984 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.22 175.52 9.32 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -96.35 168.59 10.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.189 -0.945 . . . . 0.0 108.666 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -31.74 69.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -74.68 -29.13 61.12 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.349 -1.47 . . . . 0.0 109.901 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 76' ' ' VAL . 93.1 mt-10 -83.55 -36.08 24.27 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 122.206 1.003 . . . . 0.0 109.441 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.86 -44.48 40.51 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 110.855 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.409 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 9.8 p -59.87 -40.1 81.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.486 -0.759 . . . . 0.0 109.931 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' B' ' 73' ' ' GLU . 11.5 m -61.71 -30.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.476 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.09 -58.06 4.24 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.322 -0.861 . . . . 0.0 111.781 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.3 m -58.71 -31.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.25 -0.906 . . . . 0.0 110.049 -179.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.71 -40.06 69.73 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.7 0.762 . . . . 0.0 111.003 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.81 -26.77 49.79 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -176.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 2.9 pp -85.11 -40.08 17.18 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 119.874 -1.766 . . . . 0.0 110.194 -179.436 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -53.82 -49.75 67.69 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.78 -1.2 . . . . 0.0 109.449 178.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.444 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 13.8 m -55.83 -40.31 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.286 -0.884 . . . . 0.0 109.006 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.82 -22.2 66.54 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 0.0 109.637 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 t -69.92 -39.88 75.9 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.536 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.602 ' ND2' ' N ' ' B' ' 87' ' ' ASN . 0.8 OUTLIER -66.27 -40.05 89.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.7 -1.25 . . . . 0.0 109.361 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.602 ' N ' ' ND2' ' B' ' 86' ' ' ASN . 26.4 t-20 -65.98 -37.25 85.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.421 ' CE1' ' OE2' ' B' ' 91' ' ' GLU . 20.8 t80 -88.68 -6.96 57.12 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.293 -0.88 . . . . 0.0 110.514 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -94.83 -19.9 19.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.045 . . . . 0.0 109.769 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -87.93 -14.78 38.37 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.154 -0.966 . . . . 0.0 110.635 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.421 ' OE2' ' CE1' ' B' ' 88' ' ' PHE . 14.5 pt-20 -74.86 156.83 36.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.747 -1.221 . . . . 0.0 109.125 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 33.7 m120 53.6 29.93 10.04 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.522 -0.736 . . . . 0.0 109.023 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.453 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -78.49 148.8 33.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.157 -0.964 . . . . 0.0 109.778 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m 67.54 -0.03 2.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.397 -0.814 . . . . 0.0 110.019 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -89.8 142.49 27.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.075 -1.016 . . . . 0.0 108.914 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.473 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.1 pt -119.53 125.49 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -116.57 14.15 15.43 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.247 -0.908 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.578 ' O ' ' N ' ' X' ' 10' ' ' ILE . 41.9 t90 -60.12 -51.08 71.12 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.971 -1.081 . . . . 0.0 110.842 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.574 HD22 ' CD1' ' A' ' 81' ' ' LEU . 2.2 t30 -52.07 -32.41 34.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 119.763 -1.835 . . . . 0.0 108.111 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' X' ' 12' ' ' SER . 23.8 ttpp -61.66 -24.48 66.77 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.139 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.578 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -48.78 -38.07 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.419 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.0 tp -68.54 -39.96 80.9 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.528 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.3 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.211 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' Y' ' 2' ' ' ARG . 1.8 t . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.53 ' N ' ' OG1' ' Y' ' 1' ' ' THR . 60.3 ttt85 -59.99 -45.19 93.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.236 -0.915 . . . . 0.0 108.917 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 13.9 t -154.4 161.83 41.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.873 . . . . 0.0 109.078 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -117.53 37.44 3.91 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.594 -0.692 . . . . 0.0 109.371 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.504 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER 47.96 101.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-O 122.214 1.007 . . . . 0.0 109.291 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -105.77 17.2 24.09 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.704 -1.247 . . . . 0.0 108.782 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.519 ' O ' ' CG2' ' Y' ' 10' ' ' ILE . 49.9 t90 -60.07 -49.97 75.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.548 -0.72 . . . . 0.0 110.734 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.455 ' OD1' ' CD1' ' B' ' 57' ' ' ILE . 11.9 t-20 -52.23 -37.17 54.41 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 119.918 -1.739 . . . . 0.0 108.987 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' Y' ' 12' ' ' SER . 28.1 ttmt -56.36 -24.7 45.93 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.519 ' CG2' ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.33 -31.99 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' Y' ' 8' ' ' ASN . 0.8 OUTLIER -63.7 -40.9 97.93 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.715 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . 0.43 ' O ' ' O ' ' Y' ' 9' ' ' LYS . 54.5 p . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.36 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.531 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.79 0 N-CA-C 119.545 2.578 . . . . 0.0 119.545 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -75.24 165.4 25.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.104 -1.233 . . . . 0.0 108.963 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 39.9 mp0 -59.99 -43.04 95.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.153 -0.967 . . . . 0.0 111.177 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.94 -39.97 93.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.356 -1.465 . . . . 0.0 110.124 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.531 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 98.7 mt-10 -64.27 -33.13 75.1 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.864 -1.148 . . . . 0.0 109.438 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.91 -45.4 92.69 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.842 0.829 . . . . 0.0 109.858 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.67 -32.05 70.46 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -71.74 -49.72 36.62 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.98 -36.02 74.87 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.693 -0.63 . . . . 0.0 111.481 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.83 -54.7 34.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.787 -1.195 . . . . 0.0 110.086 -178.652 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.7 mp -47.83 -39.79 19.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.468 -1.395 . . . . 0.0 108.506 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.442 HG21 HD12 ' A' ' 12' ' ' ILE . 81.7 mt -65.8 -40.08 86.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.443 -0.786 . . . . 0.0 112.041 -179.193 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.06 -49.09 12.27 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.886 -1.758 . . . . 0.0 112.731 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -61.33 -37.48 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.548 -1.345 . . . . 0.0 108.823 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 4.8 m-30 -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.12 -32.99 74.76 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.222 -0.924 . . . . 0.0 110.762 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.98 62.33 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.013 -1.055 . . . . 0.0 112.159 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -80.26 -43.35 21.51 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.065 -1.022 . . . . 0.0 111.652 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -60.03 -24.6 64.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.89 5.41 61.71 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 120.493 -1.379 . . . . 0.0 112.326 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -122.74 -61.97 1.4 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 119.335 1.567 . . . . 0.0 110.168 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.94 41.07 1.03 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.862 -1.149 . . . . 0.0 110.49 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.69 -152.99 9.3 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.387 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.02 161.88 18.74 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -54.79 -50.03 69.5 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.21 -0.931 . . . . 0.0 111.657 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 84.6 t80 -116.86 23.74 11.72 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.647 -1.283 . . . . 0.0 112.605 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -137.11 144.39 43.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.356 -1.465 . . . . 0.0 109.223 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -92.09 163.14 14.07 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.496 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.9 p -132.12 164.38 26.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.123 -0.986 . . . . 0.0 110.48 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.447 ' HZ2' ' CG1' ' A' ' 54' ' ' VAL . 22.9 tptp -48.69 -39.96 26.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.353 -0.842 . . . . 0.0 111.573 179.448 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CB ' ' NZ ' ' A' ' 31' ' ' LYS . 1.7 ttpm? -78.56 -29.64 46.39 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.737 -1.852 . . . . 0.0 110.056 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' HB2' ' H ' ' A' ' 29' ' ' SER . 59.1 mt-10 -69.96 -40.03 75.65 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 111.298 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.65 -41.7 99.19 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.321 -1.487 . . . . 0.0 109.177 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -64.06 -39.96 95.22 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.14 -0.975 . . . . 0.0 112.741 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.39 -43.77 48.32 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.808 -1.182 . . . . 0.0 112.449 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.13 -48.28 80.8 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.345 -0.847 . . . . 0.0 110.689 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 3.7 mm? -70.63 -48.73 53.58 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 39' ' ' THR . 11.5 pt20 -63.93 -39.99 95.43 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.878 0.846 . . . . 0.0 112.749 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 95.8 m -56.74 -44.17 81.43 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.34 -176.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -99.49 -15.13 18.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.29 -0.881 . . . . 0.0 111.004 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 mt -135.41 43.37 2.64 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.059 -1.026 . . . . 0.0 108.866 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.489 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -60.2 -52.06 66.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.349 -0.845 . . . . 0.0 110.683 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -68.74 -37.22 79.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.389 -0.819 . . . . 0.0 111.474 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 45' ' ' LEU . 39.8 t80 -82.81 -108.81 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.678 -1.264 . . . . 0.0 111.652 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.553 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.5 OUTLIER -9.96 132.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.958 0 CA-C-O 115.293 -2.289 . . . . 0.0 110.087 177.8 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.473 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 57.2 t0 -91.23 111.73 23.33 Favored 'General case' 0 N--CA 1.522 3.125 1 CA-C-N 127.404 4.638 . . . . 0.0 109.641 176.168 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 22.5 m -141.18 -43.43 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.697 -1.252 . . . . 0.0 110.114 178.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -90.78 -54.41 3.99 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.02 -1.05 . . . . 0.0 111.925 -178.501 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.489 ' CE ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -50.0 -60.03 3.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.816 -1.177 . . . . 0.0 108.201 -178.662 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -97.53 93.95 6.73 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.23 82.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 108.459 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -57.97 -35.33 71.02 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.08 94.84 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.499 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.447 ' CG1' ' HZ2' ' A' ' 30' ' ' LYS . 0.5 OUTLIER -62.64 -32.48 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 108.562 179.387 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 56.8 t0 -67.19 -40.06 86.46 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.024 -1.048 . . . . 0.0 110.197 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.77 -39.97 79.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.235 -0.916 . . . . 0.0 109.943 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.525 ' CD1' HD21 ' X' ' 8' ' ' ASN . 97.6 mt -69.12 -57.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.672 0.749 . . . . 0.0 111.159 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER -61.86 -38.25 87.53 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.573 0.701 . . . . 0.0 110.416 -178.756 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -60.12 -46.62 89.03 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.41 -27.26 67.7 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.538 ' O ' ' N ' ' A' ' 63' ' ' GLU . 13.3 tp -79.41 -39.96 31.14 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.892 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 88.5 m-20 -69.04 58.63 0.1 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -59.98 -40.05 87.8 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.888 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -73.53 -20.07 60.74 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.96 51.95 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -94.34 -4.9 47.74 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.364 -1.08 . . . . 0.0 112.09 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.63 8.16 75.95 Favored Glycine 0 N--CA 1.502 3.067 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -134.17 175.29 9.62 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 t -128.52 129.89 68.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.616 -1.302 . . . . 0.0 108.504 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.3 t0 -92.61 163.94 13.6 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 53.4 t80 -58.65 -33.81 70.5 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.495 -0.753 . . . . 0.0 108.975 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.4 -31.26 68.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.978 -1.076 . . . . 0.0 109.382 178.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -78.74 -49.35 13.21 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.978 0.895 . . . . 0.0 109.777 -179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.4 84.49 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.361 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.27 -35.5 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.3 -1.5 . . . . 0.0 109.363 -179.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.3 t -59.95 -34.97 58.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.04 -58.26 9.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.619 -0.676 . . . . 0.0 112.203 -178.455 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 m -59.9 -39.81 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 O-C-N 121.397 -0.815 . . . . 0.0 111.091 -178.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.52 -39.93 95.14 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.159 -0.963 . . . . 0.0 110.201 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -76.51 -24.71 53.72 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.574 ' CD1' HD22 ' X' ' 8' ' ' ASN . 95.5 mt -86.33 -40.08 15.82 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 119.674 -1.891 . . . . 0.0 110.442 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.523 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 5.0 t -59.16 -40.49 85.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.712 -1.242 . . . . 0.0 109.256 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 18.7 m -60.0 -40.02 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.908 -1.12 . . . . 0.0 109.239 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.404 ' N ' HG21 ' A' ' 83' ' ' VAL . . . -60.02 -25.53 65.37 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.523 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.3 p -76.85 -40.14 48.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.123 -0.986 . . . . 0.0 109.812 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.512 ' CG ' ' HH ' ' B' ' 26' ' ' TYR . 53.7 t-20 -60.46 -40.13 90.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.0 109.205 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.89 -40.04 95.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.014 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 71.0 t80 -84.19 -1.62 55.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.545 -0.722 . . . . 0.0 109.263 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 64.5 t80 -83.19 -10.07 58.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.461 -0.775 . . . . 0.0 109.852 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -60.6 -7.91 2.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.058 -1.026 . . . . 0.0 109.476 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -60.26 -31.86 70.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.321 -0.862 . . . . 0.0 109.172 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -70.09 -20.45 63.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.408 -0.807 . . . . 0.0 109.551 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.976 -1.012 . . . . 0.0 109.326 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.515 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.815 0 N-CA-C 119.582 2.593 . . . . 0.0 119.582 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -75.36 165.5 25.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.171 -1.194 . . . . 0.0 108.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 39.8 mp0 -59.99 -42.87 95.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 111.296 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.1 -40.02 94.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.417 -1.427 . . . . 0.0 110.088 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.515 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 98.3 mt-10 -64.04 -33.24 75.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.926 -1.109 . . . . 0.0 109.536 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.7 m -60.0 -45.13 93.75 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.873 0.844 . . . . 0.0 109.973 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -31.87 69.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -71.69 -49.72 36.96 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.604 -1.31 . . . . 0.0 110.657 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.99 -36.4 75.14 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 121.747 -0.595 . . . . 0.0 111.493 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.5 -54.83 34.11 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 110.097 -178.723 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.7 mp -47.91 -39.5 19.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.431 -1.418 . . . . 0.0 108.609 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -65.99 -40.0 86.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.515 -0.741 . . . . 0.0 112.056 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -80.11 -49.04 12.28 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 119.931 -1.731 . . . . 0.0 112.802 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.39 -37.56 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.557 -1.339 . . . . 0.0 108.792 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.64 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 4.9 m-30 -59.91 -39.82 86.72 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.19 -32.84 74.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.176 -0.952 . . . . 0.0 110.675 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.12 -53.07 61.45 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.964 -1.085 . . . . 0.0 112.153 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -80.15 -43.51 21.51 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.079 -1.013 . . . . 0.0 111.717 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 p -59.94 -24.61 64.51 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.86 5.2 61.64 Favored Glycine 0 N--CA 1.5 2.922 0 O-C-N 120.547 -1.345 . . . . 0.0 112.27 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -122.75 -61.72 1.42 Allowed 'General case' 0 N--CA 1.505 2.302 0 CA-C-N 119.385 1.592 . . . . 0.0 110.2 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -90.06 40.73 1.02 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.83 -1.168 . . . . 0.0 110.461 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.42 -152.74 9.05 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.408 -1.377 . . . . 0.0 110.463 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -85.97 161.86 18.8 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.86 -49.99 69.76 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.225 -0.922 . . . . 0.0 111.688 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' B' ' 26' ' ' TYR . 84.2 t80 -116.67 23.35 12.06 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.618 -1.301 . . . . 0.0 112.708 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -137.07 144.21 43.03 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.286 -1.509 . . . . 0.0 109.237 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tp -91.82 163.17 14.15 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 91.1 p -132.06 164.49 26.12 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.102 -0.999 . . . . 0.0 110.524 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.547 ' HZ3' ' CG1' ' B' ' 54' ' ' VAL . 23.0 tptp -48.86 -39.97 27.78 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.326 -0.859 . . . . 0.0 111.446 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.426 ' NZ ' ' CB ' ' B' ' 31' ' ' LYS . 1.8 ttpm? -78.54 -29.55 46.48 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 119.742 -1.849 . . . . 0.0 110.105 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.473 ' HB2' ' H ' ' B' ' 29' ' ' SER . 59.1 mt-10 -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.072 -1.017 . . . . 0.0 111.222 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.71 -41.66 99.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.343 -1.473 . . . . 0.0 109.126 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.98 -40.06 95.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.159 -0.963 . . . . 0.0 112.745 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -75.43 -43.7 48.37 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.768 -1.207 . . . . 0.0 112.442 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.23 -48.19 81.08 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.313 -0.867 . . . . 0.0 110.651 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.465 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 3.7 mm? -70.83 -48.7 52.6 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.698 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.469 ' O ' ' OG ' ' B' ' 42' ' ' SER . 11.5 pt20 -63.67 -40.05 95.87 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.919 0.866 . . . . 0.0 112.775 -176.407 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.2 m -56.81 -44.54 82.09 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.328 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -99.13 -15.22 19.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -135.32 43.31 2.66 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.034 -1.041 . . . . 0.0 108.837 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.479 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -60.21 -52.08 66.82 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.627 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 26.3 t -69.04 -36.45 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 0.0 111.445 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.6 t80 -83.84 -94.57 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.734 -1.229 . . . . 0.0 113.141 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.488 ' C ' ' O ' ' B' ' 44' ' ' PHE . 0.8 OUTLIER -34.22 140.12 0.07 Allowed 'General case' 0 N--CA 1.508 2.453 0 CA-C-O 117.139 -1.41 . . . . 0.0 108.804 -174.567 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.9 t0 -91.26 110.99 22.29 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 124.658 3.39 . . . . 0.0 109.122 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 22.8 m -141.29 -42.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.989 -1.069 . . . . 0.0 109.807 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -91.09 -54.62 3.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.163 -0.961 . . . . 0.0 111.968 -178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.479 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -49.93 -60.02 3.32 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.77 -1.206 . . . . 0.0 108.318 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.51 93.88 6.7 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.24 81.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 0.0 108.412 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -57.8 -35.76 71.27 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.94 95.22 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.279 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.547 ' CG1' ' HZ3' ' B' ' 30' ' ' LYS . 0.5 OUTLIER -61.27 -32.7 53.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.957 -1.089 . . . . 0.0 108.723 179.667 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 56.7 t0 -67.02 -40.0 87.15 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.015 -1.053 . . . . 0.0 110.164 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.66 -39.88 80.46 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.96 0.886 . . . . 0.0 110.017 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.455 ' CD1' ' OD1' ' Y' ' 8' ' ' ASN . 96.6 mt -69.35 -56.95 9.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 CA-C-O 121.677 0.751 . . . . 0.0 111.23 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.7 OUTLIER -61.84 -38.39 88.01 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.566 0.698 . . . . 0.0 110.431 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -59.92 -46.77 88.31 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -67.34 -24.64 65.74 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.503 ' O ' ' N ' ' B' ' 63' ' ' GLU . 13.5 tp -81.62 -39.79 23.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.635 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 58' ' ' MET . 88.3 m-20 -69.11 58.6 0.1 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -60.0 -40.07 87.95 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.851 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -73.6 -20.06 60.71 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.91 52.06 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -94.3 -4.97 47.74 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.319 -1.107 . . . . 0.0 112.005 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.6 8.36 76.27 Favored Glycine 0 N--CA 1.501 2.984 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.28 175.3 9.63 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.29 129.92 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.576 -1.328 . . . . 0.0 108.499 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.3 t0 -92.57 163.92 13.62 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 53.3 t80 -58.65 -33.84 70.54 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -70.26 -31.4 68.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.956 -1.09 . . . . 0.0 109.38 178.326 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -78.73 -49.35 13.23 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 122.025 0.916 . . . . 0.0 109.798 -179.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.64 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.53 83.9 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.346 -178.09 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 51.0 t -59.32 -35.15 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.327 -1.483 . . . . 0.0 109.404 -179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.2 t -59.96 -35.07 58.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 119.057 -1.057 . . . . 0.0 108.171 177.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -58.32 9.05 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 121.473 0.654 . . . . 0.0 112.144 -178.251 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 12.5 m -59.99 -39.8 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.495 -0.753 . . . . 0.0 111.055 -178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -62.43 -39.98 95.09 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.104 -0.998 . . . . 0.0 110.239 179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.43 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -76.4 -24.51 54.07 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.437 ' CD1' HD22 ' Y' ' 8' ' ' ASN . 94.2 mt -86.55 -39.98 15.67 Favored 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.58 -1.95 . . . . 0.0 110.509 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.527 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 4.9 t -59.13 -40.65 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.779 -1.201 . . . . 0.0 109.201 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 18.7 m -59.97 -39.96 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.979 -1.076 . . . . 0.0 109.244 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.406 ' N ' HG21 ' B' ' 83' ' ' VAL . . . -60.08 -25.64 65.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.527 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.4 p -76.75 -40.09 49.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.16 -0.963 . . . . 0.0 109.971 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.484 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 54.3 t-20 -60.44 -40.2 90.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.73 -39.96 95.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.32 -0.862 . . . . 0.0 109.004 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 71.0 t80 -84.2 -1.52 55.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.549 -0.719 . . . . 0.0 109.326 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 64.8 t80 -83.35 -10.02 58.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.379 -0.826 . . . . 0.0 109.793 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -60.55 -7.99 2.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 109.388 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -60.25 -31.88 70.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 109.182 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -70.14 -20.36 63.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.332 -0.855 . . . . 0.0 109.513 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.413 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.433 ' O ' ' O ' ' X' ' 2' ' ' ARG . 19.0 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' X' ' 3' ' ' THR . 70.5 ttt-85 63.39 -179.51 0.15 Allowed 'General case' 0 CA--C 1.458 -2.587 0 CA-C-O 123.112 1.434 . . . . 0.0 107.348 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 3' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' X' ' 2' ' ' ARG . 0.3 OUTLIER 64.55 29.66 13.09 Favored 'General case' 0 C--N 1.384 2.07 1 O-C-N 111.929 -6.732 . . . . 0.0 109.824 171.426 . . . . . . . . 4 4 . 1 . 016 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.448 ' CD ' ' N ' ' X' ' 4' ' ' LYS . 0.4 OUTLIER -82.79 156.89 23.44 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.139 -0.975 . . . . 0.0 109.295 179.767 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.442 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 1.3 pt -80.57 122.96 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -121.85 32.03 6.01 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.433 ' O ' ' CG2' ' X' ' 10' ' ' ILE . 55.0 t90 -59.95 -49.98 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.63 -0.669 . . . . 0.0 111.732 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.509 ' OD1' ' CD1' ' A' ' 57' ' ' ILE . 34.2 t-20 -54.9 -33.49 62.12 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.304 -1.497 . . . . 0.0 109.035 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . 0.407 ' O ' ' OXT' ' X' ' 12' ' ' SER . 82.1 tttt -59.89 -27.08 66.41 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.433 ' CG2' ' O ' ' X' ' 7' ' ' TRP . 3.0 tt -54.44 -34.45 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.428 ' N ' HG23 ' X' ' 10' ' ' ILE . 0.3 OUTLIER -60.03 -49.94 75.68 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' X' X ' 12' ' ' SER . . . . . 0.407 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 53.6 p . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.9 -1.047 . . . . 0.0 109.702 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -68.16 -20.52 64.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.13 -0.981 . . . . 0.0 109.313 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 71.0 p -72.78 -1.01 14.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.547 -0.721 . . . . 0.0 109.957 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -126.45 145.64 50.41 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.592 0.71 . . . . 0.0 109.927 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.468 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 2.5 pt -118.21 135.83 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 95.7 m-20 -114.62 27.31 9.54 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.063 -1.023 . . . . 0.0 110.351 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.474 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 41.7 t90 -60.31 -55.13 37.38 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.015 -1.053 . . . . 0.0 112.868 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.502 ' OD1' ' CD1' ' B' ' 57' ' ' ILE . 35.1 t-20 -52.13 -35.74 49.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 119.866 -1.771 . . . . 0.0 109.198 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -59.9 -24.72 64.52 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.474 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -53.32 -38.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.1 tp -68.9 -40.07 79.36 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.505 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.488 -179.546 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.636 2.614 . . . . 0.0 119.636 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -103.16 34.6 2.84 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.417 -1.049 . . . . 0.0 109.536 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.23 -40.09 94.97 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.338 -0.851 . . . . 0.0 111.775 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -43.32 99.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.142 -1.599 . . . . 0.0 109.606 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.97 -34.18 76.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.026 -1.047 . . . . 0.0 109.615 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.8 -45.72 91.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.37 -0.831 . . . . 0.0 110.104 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.33 66.13 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.764 -0.585 . . . . 0.0 111.837 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 ttt -71.55 -48.83 46.08 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.468 -1.395 . . . . 0.0 110.28 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.07 -33.39 71.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.552 -0.718 . . . . 0.0 111.266 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.22 -55.79 14.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 118.477 -1.289 . . . . 0.0 109.926 -178.721 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -45.56 -38.13 6.14 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.447 -1.408 . . . . 0.0 108.597 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.71 -39.97 83.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.372 -0.83 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.32 -43.01 64.78 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.467 -1.396 . . . . 0.0 112.797 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 15' ' ' PHE . 11.0 p -71.01 -39.82 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.647 -1.283 . . . . 0.0 109.95 -178.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.643 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.3 m-30 -60.13 -40.52 90.08 Favored 'General case' 0 C--N 1.291 -1.943 0 O-C-N 121.826 -0.546 . . . . 0.0 110.155 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.479 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 2.8 p-80 -73.28 -24.23 60.4 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.152 -1.593 . . . . 0.0 110.433 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.57 -53.7 54.99 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.983 -1.073 . . . . 0.0 110.925 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -83.31 -41.27 18.46 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.234 -0.916 . . . . 0.0 111.077 -179.521 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ASP . 9.7 t -56.83 -28.4 61.53 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.252 -0.905 . . . . 0.0 112.792 -178.303 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.4 9.56 71.75 Favored Glycine 0 N--CA 1.497 2.764 0 O-C-N 120.513 -1.367 . . . . 0.0 111.138 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -124.24 -62.94 1.24 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 118.873 1.337 . . . . 0.0 109.84 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 34.1 mp0 -88.82 18.52 4.71 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.788 -1.195 . . . . 0.0 110.621 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.563 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -152.02 -155.31 6.97 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 19' ' ' SER . 92.9 m-20 -86.78 168.56 13.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -1.187 . . . . 0.0 108.455 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -57.59 -49.33 76.75 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.349 -0.845 . . . . 0.0 112.012 -177.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -118.55 24.75 10.72 Favored 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.514 -1.367 . . . . 0.0 111.499 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -140.01 146.91 39.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.857 -1.152 . . . . 0.0 108.698 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -94.24 164.27 13.11 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.124 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.407 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.9 m -129.46 158.69 38.5 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.401 -0.812 . . . . 0.0 109.801 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -48.01 -40.1 21.69 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -75.12 -23.71 57.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 119.579 -1.95 . . . . 0.0 109.809 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.563 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 81.5 mt-10 -76.3 -42.74 44.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 111.527 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.425 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 3.5 pp -59.86 -47.11 87.08 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 118.408 -1.317 . . . . 0.0 109.2 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 80.0 tttt -61.12 -40.04 92.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.755 -0.591 . . . . 0.0 111.505 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 39' ' ' THR . 89.8 m-20 -66.33 -42.56 88.02 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.919 -1.113 . . . . 0.0 113.966 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 61.2 mt -70.02 -40.04 75.44 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 119.381 -2.074 . . . . 0.0 110.597 -178.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -64.52 -51.83 60.89 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.453 0.644 . . . . 0.0 112.496 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.676 HE21 ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -66.02 -37.27 85.45 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.854 0.835 . . . . 0.0 111.887 -178.277 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.441 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 93.0 m -54.85 -45.88 74.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.856 -0.527 . . . . 0.0 111.232 -175.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' B' ' 1' ' ' GLY . 65.0 mt-10 -100.53 -12.53 19.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.135 -0.978 . . . . 0.0 111.617 -177.446 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.93 47.49 2.35 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.988 -1.07 . . . . 0.0 109.421 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 57.8 m -60.16 -48.55 81.27 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 110.529 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.8 p -69.96 -39.74 75.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.356 -0.84 . . . . 0.0 111.786 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -84.61 -106.77 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.838 -1.164 . . . . 0.0 111.952 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -8.88 125.9 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.066 0 CA-C-O 114.79 -2.528 . . . . 0.0 109.322 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 49.1 t0 -90.44 109.23 20.36 Favored 'General case' 0 N--CA 1.521 3.113 1 CA-C-N 128.068 4.94 . . . . 0.0 110.183 178.109 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -143.45 -46.39 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 120.764 -1.21 . . . . 0.0 110.391 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.676 ' NE2' HE21 ' A' ' 38' ' ' GLN . 88.5 mt-30 -77.5 -47.23 20.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.821 -1.174 . . . . 0.0 111.494 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 1.1 mmtt -57.54 -57.54 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.71 89.56 4.98 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.08 65.38 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.03 -37.9 81.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 118.871 -1.132 . . . . 0.0 109.684 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -35.23 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.555 -1.34 . . . . 0.0 108.331 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.55 -40.02 94.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.97 -1.081 . . . . 0.0 110.489 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.59 -40.08 88.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.044 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.509 ' CD1' ' OD1' ' X' ' 8' ' ' ASN . 4.6 mm -69.9 -53.78 22.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.682 0.753 . . . . 0.0 110.753 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 tpt -60.87 -39.84 90.7 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.05 0.453 . . . . 0.0 111.271 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -45.58 93.66 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.53 -28.92 66.43 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 63' ' ' GLU . 14.2 tp -74.21 -41.7 60.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.682 -0.636 . . . . 0.0 110.046 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 61.76 0.21 Allowed 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 61' ' ' LEU . 99.9 mt-10 -60.05 -40.0 87.88 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.75 -19.2 61.42 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.98 35.57 49.52 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -96.52 -4.62 41.07 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.397 -1.061 . . . . 0.0 111.846 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.01 9.66 76.43 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -134.63 175.8 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -129.69 131.01 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 120.26 -1.525 . . . . 0.0 110.649 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.67 162.07 13.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.34 -39.67 70.31 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.139 -0.975 . . . . 0.0 109.145 -179.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -65.61 -28.61 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.74 -1.85 . . . . 0.0 109.546 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -83.16 -49.98 8.92 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.813 0.816 . . . . 0.0 109.862 179.514 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 1.3 t80 -60.1 -49.05 79.18 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.633 0.73 . . . . 0.0 111.414 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.8 p -59.99 -36.88 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 110.833 -179.071 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.81 -29.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.151 -0.968 . . . . 0.0 108.415 179.126 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -67.93 -59.4 3.31 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 121.702 0.763 . . . . 0.0 112.486 -177.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 26.1 m -61.62 -37.25 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 CA-C-O 121.695 0.759 . . . . 0.0 110.745 -177.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.75 -41.19 88.21 Favored 'General case' 0 C--N 1.287 -2.147 0 O-C-N 121.713 -0.617 . . . . 0.0 111.631 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.6 -25.28 53.74 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 113.031 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 mt -78.64 -53.23 7.4 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 119.753 -1.842 . . . . 0.0 109.939 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 3.1 t -45.55 -53.22 9.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.278 -0.889 . . . . 0.0 110.697 178.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.1 m -52.46 -41.17 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.979 -1.076 . . . . 0.0 109.521 178.04 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.52 -25.12 65.87 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 t -71.43 -41.72 69.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.65 -39.97 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.376 -0.828 . . . . 0.0 109.656 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.458 -0.776 . . . . 0.0 110.232 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.57 -0.32 57.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.946 -1.096 . . . . 0.0 109.604 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -83.56 -13.91 53.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 108.824 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.449 ' CD2' ' O ' ' A' ' 90' ' ' TRP . 90.5 t90 -94.82 -0.2 54.31 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 110.253 -179.389 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.01 -41.21 91.62 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.992 -1.067 . . . . 0.0 109.64 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' SER . 95.4 m-20 -100.27 -1.4 36.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.301 -0.874 . . . . 0.0 109.045 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' ASN . 72.3 p . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.164 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 119.613 2.605 . . . . 0.0 119.613 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -103.3 34.77 2.79 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.489 -1.006 . . . . 0.0 109.561 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.14 95.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.835 . . . . 0.0 111.65 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.115 -1.616 . . . . 0.0 109.637 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.86 -34.47 77.43 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -59.6 -45.72 91.06 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.674 0.749 . . . . 0.0 110.188 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.63 -27.8 65.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.789 -0.569 . . . . 0.0 111.871 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ttt -72.14 -48.75 41.34 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.524 -1.36 . . . . 0.0 110.261 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.99 -33.43 72.03 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.626 -0.671 . . . . 0.0 111.237 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -66.17 -55.85 14.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.448 -1.301 . . . . 0.0 109.987 -178.722 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.465 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.1 mp -45.45 -37.97 5.66 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.469 -1.394 . . . . 0.0 108.597 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.92 -39.77 82.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.345 -0.847 . . . . 0.0 110.702 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.47 -43.26 63.96 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.517 -1.364 . . . . 0.0 112.72 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.41 HG11 ' H ' ' B' ' 15' ' ' PHE . 12.2 p -70.74 -39.97 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.821 -1.174 . . . . 0.0 109.93 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.641 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 5.4 m-30 -60.03 -40.36 89.09 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.722 -0.612 . . . . 0.0 110.225 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' B' ' 16' ' ' HIS . 3.0 p-80 -73.49 -24.02 60.13 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.018 -1.676 . . . . 0.0 110.498 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -53.99 51.79 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.966 -1.084 . . . . 0.0 110.884 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -83.21 -41.43 18.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.165 -0.96 . . . . 0.0 111.029 -179.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 24' ' ' ASP . 9.3 t -56.59 -28.62 60.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.276 -0.89 . . . . 0.0 112.856 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.21 9.39 72.31 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.416 -1.428 . . . . 0.0 111.236 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -124.23 -62.8 1.25 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 118.809 1.304 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' B' ' 22' ' ' GLU . 35.3 mp0 -89.07 18.93 4.51 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.746 -1.221 . . . . 0.0 110.606 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.562 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -152.09 -155.49 7.06 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' B' ' 19' ' ' SER . 92.6 m-20 -86.85 168.77 13.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -1.145 . . . . 0.0 108.442 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -57.73 -49.38 76.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.263 -0.898 . . . . 0.0 111.983 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.33 24.12 11.14 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.588 -1.32 . . . . 0.0 111.486 -177.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -139.54 146.63 40.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 108.739 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -93.8 164.35 13.16 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.049 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.407 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.3 m -129.45 158.32 39.54 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.41 -0.806 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -48.24 -39.82 22.56 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.909 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -74.97 -23.88 58.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 119.604 -1.935 . . . . 0.0 109.732 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.562 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 81.5 mt-10 -76.45 -42.66 43.1 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.544 -0.722 . . . . 0.0 111.464 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.43 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 3.4 pp -59.75 -47.26 86.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.466 -1.396 . . . . 0.0 109.123 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.43 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 80.4 tttt -61.06 -40.07 92.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.731 -0.606 . . . . 0.0 111.558 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -66.26 -42.5 88.43 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 mt -70.01 -39.98 75.52 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 119.308 -2.12 . . . . 0.0 110.774 -178.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.52 -51.89 60.58 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.518 0.675 . . . . 0.0 112.492 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.674 HE21 ' NE2' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -66.04 -37.12 85.06 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.889 0.852 . . . . 0.0 111.88 -178.204 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.443 ' OG1' ' OE1' ' B' ' 38' ' ' GLN . 94.3 m -55.0 -46.01 75.12 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.737 -0.602 . . . . 0.0 111.295 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -100.43 -12.33 19.46 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.17 -0.956 . . . . 0.0 111.603 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 mt -134.93 47.28 2.37 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.94 -1.1 . . . . 0.0 109.359 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.526 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 67.7 m -60.17 -48.45 81.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 110.438 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -69.96 -39.52 75.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 111.844 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.521 ' O ' ' C ' ' B' ' 45' ' ' LEU . 35.1 t80 -85.19 -92.57 0.09 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.796 -1.19 . . . . 0.0 113.399 -177.525 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.521 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -32.92 133.06 0.13 Allowed 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 116.826 -1.559 . . . . 0.0 108.176 -174.51 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 49.3 t0 -90.22 108.22 19.62 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 125.088 3.585 . . . . 0.0 110.129 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.2 m -143.47 -45.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.13 -0.981 . . . . 0.0 110.088 178.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.674 ' NE2' HE21 ' B' ' 38' ' ' GLN . 88.3 mt-30 -77.82 -47.38 19.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.665 -1.272 . . . . 0.0 111.441 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.2 mmtt -57.55 -57.67 11.69 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD2' ' OD1' ' Y' ' 6' ' ' ASP . 98.1 m-20 -96.53 89.57 5.05 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.01 65.2 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.01 -38.24 82.07 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.99 89.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.409 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -35.42 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.496 -1.377 . . . . 0.0 108.424 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.5 -39.96 94.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.969 -1.082 . . . . 0.0 110.432 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -66.84 -40.06 87.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.075 -1.016 . . . . 0.0 110.004 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.502 ' CD1' ' OD1' ' Y' ' 8' ' ' ASN . 4.9 mm -69.77 -53.5 23.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 121.668 0.747 . . . . 0.0 110.819 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.98 -39.85 91.19 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.053 0.454 . . . . 0.0 111.306 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -45.81 92.48 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.0 -26.55 64.13 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' B' ' 63' ' ' GLU . 14.4 tp -76.05 -41.74 49.77 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.165 0.507 . . . . 0.0 109.76 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.09 61.74 0.2 Allowed 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.525 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.8 mt-10 -59.97 -39.98 87.52 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.98 -19.24 61.26 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 35.52 49.49 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.331 -1.908 . . . . 0.0 108.331 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -96.5 -4.9 40.65 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.507 -0.996 . . . . 0.0 111.822 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.03 9.94 77.01 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.78 176.02 9.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.88 131.2 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.357 0 O-C-N 120.249 -1.532 . . . . 0.0 110.649 -179.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -94.73 161.81 14.03 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.33 -39.57 70.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.044 -1.035 . . . . 0.0 109.135 -179.239 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.86 -28.49 69.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 119.736 -1.853 . . . . 0.0 109.573 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.0 mt-10 -83.32 -49.9 8.91 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.788 0.804 . . . . 0.0 109.763 179.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.641 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.3 t80 -59.95 -49.0 79.41 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.5 -0.75 . . . . 0.0 111.447 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.99 -37.16 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 110.802 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.52 -29.66 34.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -68.13 -59.5 3.19 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.787 0.803 . . . . 0.0 112.485 -177.651 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 26.0 m -61.73 -37.18 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.661 0.743 . . . . 0.0 110.721 -178.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -66.86 -41.39 87.4 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 121.681 -0.637 . . . . 0.0 111.471 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.16 54.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.853 -1.155 . . . . 0.0 113.02 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.93 -53.29 7.21 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.666 -1.896 . . . . 0.0 109.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 3.1 t -45.41 -53.24 8.97 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.391 -0.818 . . . . 0.0 110.629 179.018 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 16.5 m -52.48 -41.28 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.03 . . . . 0.0 109.641 178.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.3 -25.24 65.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.21 -41.65 69.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.339 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.8 -40.01 91.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 0.0 109.613 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.395 -0.815 . . . . 0.0 110.264 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.5 -0.43 57.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.979 -1.076 . . . . 0.0 109.573 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -83.52 -13.76 53.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 108.933 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' CD2' ' B' ' 90' ' ' TRP . 90.4 t90 -94.8 -0.24 54.32 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.465 -0.772 . . . . 0.0 110.246 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.08 -41.22 92.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.948 -1.095 . . . . 0.0 109.618 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' B' ' 93' ' ' SER . 95.6 m-20 -100.24 -1.25 36.88 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.317 -0.865 . . . . 0.0 109.071 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.445 ' C ' ' O ' ' B' ' 92' ' ' ASN . 75.4 p . . . . . 0 N--CA 1.503 2.2 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.146 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -98.17 130.28 44.93 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.254 -0.904 . . . . 0.0 109.276 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.63 97.23 10.67 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.015 -1.053 . . . . 0.0 108.672 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.689 ' H ' ' HZ3' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -69.59 -40.01 76.96 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.413 -0.805 . . . . 0.0 109.421 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 8.0 tt -162.13 102.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.235 -0.915 . . . . 0.0 109.73 -179.503 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -128.63 10.93 6.16 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.149 -0.97 . . . . 0.0 109.463 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.626 ' CZ2' ' CZ ' ' A' ' 44' ' ' PHE . 4.6 p-90 -60.03 -40.71 90.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.092 -1.005 . . . . 0.0 110.413 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.502 ' C ' HD21 ' X' ' 8' ' ' ASN . 0.4 OUTLIER -53.05 -39.04 62.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.345 -2.097 . . . . 0.0 108.578 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -55.69 -23.05 26.44 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.542 ' N ' ' O ' ' X' ' 7' ' ' TRP . 10.6 tt -51.71 -38.09 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.454 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 58.8 tp -64.31 -40.24 95.53 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.204 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.579 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.174 0.512 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -125.61 148.22 49.04 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 53.8 p -74.0 154.78 39.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.055 -1.028 . . . . 0.0 109.963 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -79.37 0.35 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.412 -0.805 . . . . 0.0 110.161 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.639 ' CG2' ' H ' ' Y' ' 6' ' ' ASP . 12.2 tt -87.44 -74.36 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.274 -0.891 . . . . 0.0 111.039 -178.3 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.639 ' H ' ' CG2' ' Y' ' 5' ' ' ILE . 4.3 p-10 42.24 16.86 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.1 -1.0 . . . . 0.0 110.252 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.63 ' CZ3' ' CZ ' ' B' ' 44' ' ' PHE . 25.7 t90 -60.34 -50.42 73.68 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.043 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.521 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 0.2 OUTLIER -53.69 -31.16 46.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 119.909 -1.745 . . . . 0.0 109.141 -178.937 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -57.41 -24.84 57.93 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 4.2 tt -54.98 -37.5 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.427 ' N ' HG21 ' Y' ' 10' ' ' ILE . 54.5 tp -62.73 -41.89 99.39 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.649 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.824 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.803 0 N-CA-C 119.57 2.588 . . . . 0.0 119.57 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -77.91 158.08 29.53 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -1.162 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -41.29 -56.13 2.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.451 -0.781 . . . . 0.0 111.133 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 mt -69.12 -41.25 77.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.851 -1.156 . . . . 0.0 110.282 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 -35.03 74.78 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.934 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 92.4 m -58.91 -50.04 75.54 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.781 -0.574 . . . . 0.0 109.881 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.27 67.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.675 -0.64 . . . . 0.0 112.349 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -70.23 -45.57 66.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.278 -1.514 . . . . 0.0 109.912 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.93 61.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.474 -0.766 . . . . 0.0 110.619 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -67.48 -57.83 5.83 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.481 -178.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 7.5 mp -50.95 -29.67 12.83 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.313 -1.492 . . . . 0.0 108.847 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.62 -39.44 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.277 -0.889 . . . . 0.0 109.804 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -70.42 -56.08 7.5 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.003 -1.061 . . . . 0.0 112.863 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.46 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 8.3 p -61.36 -50.02 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.43 -0.794 . . . . 0.0 111.922 -177.025 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.473 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 1.7 t80 -60.07 -40.16 88.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.155 -0.965 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.92 -40.0 87.36 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.497 -1.377 . . . . 0.0 110.034 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -80.1 -45.17 18.7 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.604 -1.31 . . . . 0.0 111.457 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -60.05 -28.01 67.42 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.41 4.91 77.35 Favored Glycine 0 N--CA 1.497 2.715 0 O-C-N 120.444 -1.41 . . . . 0.0 110.73 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.94 -61.4 1.24 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.429 -1.042 . . . . 0.0 110.312 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 54.7 mp0 -81.11 10.21 5.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 110.653 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -150.58 -146.44 4.33 Favored Glycine 0 N--CA 1.499 2.866 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.822 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 29.0 t0 -88.28 165.39 15.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.613 -0.934 . . . . 0.0 108.69 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.419 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 68.5 mmtt -55.45 -50.63 69.35 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.155 -0.966 . . . . 0.0 111.278 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -120.82 25.0 9.95 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 120.772 -1.205 . . . . 0.0 111.847 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -137.96 147.34 44.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.667 -1.27 . . . . 0.0 109.359 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.6 tp -98.04 163.78 12.62 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.262 -177.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 48.0 t -130.46 160.72 33.24 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.44 -43.72 11.63 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.327 -0.858 . . . . 0.0 112.255 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.68 -25.81 60.42 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 119.7 -1.875 . . . . 0.0 110.136 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.526 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 68.2 mt-10 -77.72 -43.5 30.82 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.037 -1.039 . . . . 0.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.488 ' CD1' ' N ' ' A' ' 34' ' ' LYS . 4.4 pp -56.04 -43.51 77.91 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.343 -1.473 . . . . 0.0 107.696 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.488 ' N ' ' CD1' ' A' ' 33' ' ' LEU . 76.4 tttt -60.08 -39.82 87.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 -178.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.5 -40.02 92.55 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.46 -0.775 . . . . 0.0 111.557 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -61.54 -51.39 68.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.634 -1.291 . . . . 0.0 111.129 -178.392 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.86 -41.04 75.38 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' THR . 1.7 pp0? -73.58 -39.93 64.28 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.088 -1.007 . . . . 0.0 112.898 -176.798 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 93.8 m -59.85 -46.62 88.7 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.974 -0.69 . . . . 0.0 111.201 -175.785 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.11 -16.22 17.13 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.309 -0.869 . . . . 0.0 112.457 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.1 mt -132.98 49.01 2.35 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.772 -1.205 . . . . 0.0 109.497 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.559 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 23.2 t -60.77 -49.8 76.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 110.335 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -64.91 -40.2 94.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.339 -0.851 . . . . 0.0 111.962 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.669 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.4 t80 -90.77 -101.36 0.1 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.761 -1.212 . . . . 0.0 111.989 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.669 ' O ' ' O ' ' A' ' 44' ' ' PHE . 2.0 mm? -8.5 137.43 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.357 0 CA-C-O 115.763 -2.065 . . . . 0.0 109.253 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.08 116.08 27.1 Favored 'General case' 0 N--CA 1.515 2.824 1 CA-C-N 126.9 4.409 . . . . 0.0 109.772 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ASP . 89.6 t -145.67 -87.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.794 -1.191 . . . . 0.0 110.436 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 63.3 mm-40 -60.6 -40.42 91.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.997 -1.064 . . . . 0.0 111.154 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 14.1 mtmm -60.87 -24.36 65.87 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' VAL . 31.7 t70 -145.19 90.22 2.02 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -30.1 64.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.03 -39.58 86.38 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.86 87.52 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.128 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -37.65 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.438 -1.414 . . . . 0.0 109.742 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.69 -40.01 80.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 0.0 110.889 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -64.78 -39.9 94.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.161 -0.962 . . . . 0.0 109.393 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.42 ' CG1' HD22 ' X' ' 8' ' ' ASN . 68.8 mt -65.82 -52.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 CA-C-O 121.916 0.865 . . . . 0.0 110.699 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.466 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.74 -36.17 78.22 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.699 -0.626 . . . . 0.0 110.286 -179.353 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -59.92 -43.28 95.0 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.08 -25.16 67.54 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.54 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.0 mt -93.28 -22.97 18.67 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.503 -0.748 . . . . 0.0 110.176 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 60.6 m-20 -76.55 45.23 0.39 Allowed 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.54 ' H ' ' C ' ' A' ' 61' ' ' LEU . 96.2 mt-10 -60.03 -41.68 92.77 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.024 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.509 ' OD1' ' N ' ' A' ' 65' ' ' GLY . 38.8 p30 -75.54 -21.03 58.29 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 76.93 37.65 32.73 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 108.131 -1.987 . . . . 0.0 108.131 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.506 ' CG ' HD22 ' A' ' 64' ' ' ASN . 34.5 p-10 -96.81 -8.74 30.32 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.404 -1.056 . . . . 0.0 111.405 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.72 10.21 86.38 Favored Glycine 0 N--CA 1.501 3.011 0 O-C-N 120.872 -1.143 . . . . 0.0 110.405 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -133.63 175.09 9.74 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.763 -1.434 . . . . 0.0 107.92 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.1 128.21 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.721 -1.237 . . . . 0.0 108.442 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -93.68 164.37 13.18 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -56.66 -32.18 65.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.059 -1.026 . . . . 0.0 109.293 -179.018 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.35 -26.87 62.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.826 -1.171 . . . . 0.0 109.604 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.413 ' OE2' ' O ' ' A' ' 61' ' ' LEU . 59.2 mt-10 -84.27 -46.98 11.25 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.138 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -67.4 -42.58 83.06 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.313 -0.867 . . . . 0.0 110.954 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.7 p -62.8 -37.98 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -178.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -35.41 60.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.934 -1.104 . . . . 0.0 108.853 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.457 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 tm? -70.46 -51.4 29.47 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.44 -0.787 . . . . 0.0 112.729 -178.136 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.76 -35.39 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 O-C-N 120.641 -1.287 . . . . 0.0 109.283 -178.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.83 86.64 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-O 121.692 0.758 . . . . 0.0 110.439 178.395 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.289 -0.882 . . . . 0.0 112.597 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -78.53 -44.73 23.6 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.108 -1.62 . . . . 0.0 109.983 -178.704 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.51 -49.64 67.12 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.175 -0.953 . . . . 0.0 109.849 178.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 15.4 m -59.92 -41.78 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.086 -1.009 . . . . 0.0 110.299 178.509 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.44 -23.6 65.96 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.41 -0.806 . . . . 0.0 109.077 -179.484 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.39 -47.51 41.47 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.184 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.59 -43.1 97.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 110.154 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -64.9 -40.19 94.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.41 -0.806 . . . . 0.0 110.73 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 63.9 t80 -88.2 -4.33 58.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.254 -0.904 . . . . 0.0 110.248 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -88.46 -23.76 23.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.099 -1.001 . . . . 0.0 109.539 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -85.68 -12.19 51.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.696 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -69.89 -39.99 75.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.074 -1.017 . . . . 0.0 109.273 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' O ' ' OXT' ' A' ' 93' ' ' SER . 24.9 t-20 -87.79 -7.65 57.01 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.437 -0.79 . . . . 0.0 109.361 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.419 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 24.3 t . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.693 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.9 0 N-CA-C 119.578 2.591 . . . . 0.0 119.578 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 15.2 t -78.31 157.91 29.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.199 -1.177 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 77.7 mm-40 -41.21 -56.14 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.401 -0.812 . . . . 0.0 111.228 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.1 mt -69.28 -40.93 77.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.277 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.21 -35.73 76.09 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.839 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 10' ' ' THR . 93.8 m -58.4 -50.1 74.88 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.764 -0.585 . . . . 0.0 109.922 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.96 67.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.61 -0.681 . . . . 0.0 112.432 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.8 mtp -70.69 -45.27 65.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.393 -1.442 . . . . 0.0 110.039 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.92 61.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.578 -0.701 . . . . 0.0 110.543 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.2 OUTLIER -67.63 -57.69 5.97 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 121.068 -1.02 . . . . 0.0 108.599 -178.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 7.3 mp -51.02 -29.71 13.27 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.343 -1.473 . . . . 0.0 108.878 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mm -69.7 -38.95 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.27 -0.894 . . . . 0.0 109.748 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.77 -56.14 7.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.046 -1.034 . . . . 0.0 112.865 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.453 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 7.3 p -61.34 -50.09 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.5 -0.75 . . . . 0.0 111.825 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' B' ' 15' ' ' PHE . 1.7 t80 -60.07 -39.93 87.76 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.009 -1.057 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.17 -39.8 87.7 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.459 -1.4 . . . . 0.0 109.877 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.76 64.27 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -80.34 -45.14 18.3 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.623 -1.298 . . . . 0.0 111.473 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -59.97 -28.26 67.53 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.19 4.57 77.67 Favored Glycine 0 N--CA 1.497 2.73 0 O-C-N 120.436 -1.415 . . . . 0.0 110.822 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -125.71 -61.41 1.25 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.365 -1.079 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 54.6 mp0 -81.05 10.1 5.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.889 -1.132 . . . . 0.0 110.688 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -150.28 -146.27 4.29 Favored Glycine 0 N--CA 1.498 2.784 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 28.8 t0 -88.51 165.39 14.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.711 -0.876 . . . . 0.0 108.745 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 68.1 mmtt -55.61 -50.6 69.71 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.192 -0.942 . . . . 0.0 111.249 -177.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -120.67 24.72 10.14 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.764 -1.21 . . . . 0.0 111.832 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -137.75 146.88 44.19 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.523 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -97.43 164.03 12.62 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.32 -177.546 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.457 ' HG ' ' N ' ' B' ' 30' ' ' LYS . 47.3 t -130.67 160.76 33.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.447 -0.783 . . . . 0.0 109.417 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.457 ' N ' ' HG ' ' B' ' 29' ' ' SER . 1.1 tmtm? -45.42 -43.56 11.39 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.23 -0.919 . . . . 0.0 112.208 -179.517 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -73.83 -25.92 60.33 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 119.637 -1.914 . . . . 0.0 110.114 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.526 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 68.2 mt-10 -77.6 -43.64 30.94 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.032 -1.042 . . . . 0.0 111.815 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.472 ' CD1' ' N ' ' B' ' 34' ' ' LYS . 4.4 pp -55.99 -43.26 77.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.377 -1.452 . . . . 0.0 107.807 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.472 ' N ' ' CD1' ' B' ' 33' ' ' LEU . 77.4 tttt -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.44 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.43 -40.09 92.87 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.466 -0.771 . . . . 0.0 111.576 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -61.57 -51.04 70.2 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.583 -1.323 . . . . 0.0 111.192 -178.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.02 -41.18 74.63 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' B' ' 39' ' ' THR . 1.7 pp0? -73.45 -39.91 64.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 112.979 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.488 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.8 m -60.12 -46.8 88.42 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.07 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.95 -16.31 17.22 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.194 -0.941 . . . . 0.0 112.311 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 88.1 mt -132.28 48.92 2.37 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.791 -1.193 . . . . 0.0 109.65 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.544 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 22.2 t -61.02 -49.76 76.1 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.323 -0.861 . . . . 0.0 110.281 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -65.05 -40.12 94.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 111.815 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 15.2 t80 -91.83 -87.61 0.21 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.853 -1.155 . . . . 0.0 113.424 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.557 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.7 mm? -31.42 144.28 0.01 OUTLIER 'General case' 0 N--CA 1.519 3.016 0 CA-C-O 117.367 -1.301 . . . . 0.0 108.084 -174.267 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.521 ' CG ' ' H ' ' Y' ' 8' ' ' ASN . 6.3 m-20 -89.21 115.09 26.46 Favored 'General case' 0 N--CA 1.505 2.275 0 CA-C-N 124.381 3.264 . . . . 0.0 109.332 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -145.47 -86.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.043 -1.036 . . . . 0.0 110.135 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.84 -39.91 90.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.082 -1.011 . . . . 0.0 111.227 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.544 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.7 mtmm -60.98 -24.82 66.4 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -144.94 90.05 2.02 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.73 -30.05 63.13 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.09 -39.82 87.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 177.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.47 87.99 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.9 -1.12 . . . . 0.0 110.139 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -37.78 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.409 -1.432 . . . . 0.0 109.747 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.71 -40.02 80.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 110.863 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.76 -39.94 94.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.096 -1.003 . . . . 0.0 109.347 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 74.3 mt -65.66 -52.08 54.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-O 121.915 0.864 . . . . 0.0 110.679 179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.467 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -60.66 -36.25 78.24 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.895 -0.503 . . . . 0.0 110.284 -179.255 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.01 -43.02 95.52 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.74 -23.18 67.06 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.549 ' C ' ' H ' ' B' ' 63' ' ' GLU . 25.4 mt -94.96 -23.03 17.58 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.536 -0.727 . . . . 0.0 110.146 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.467 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 60.8 m-20 -76.7 45.06 0.39 Allowed 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.549 ' H ' ' C ' ' B' ' 61' ' ' LEU . 96.0 mt-10 -60.07 -41.59 92.75 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.885 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' B' ' 65' ' ' GLY . 39.0 p30 -75.47 -20.84 58.55 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 76.91 37.5 33.25 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 108.101 -2.0 . . . . 0.0 108.101 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.512 ' CG ' HD22 ' B' ' 64' ' ' ASN . 34.8 p-10 -96.84 -9.01 29.57 Favored 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.44 -1.035 . . . . 0.0 111.491 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.8 10.61 86.12 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.72 175.25 9.62 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.823 -1.398 . . . . 0.0 107.683 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -129.16 128.26 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.787 -1.195 . . . . 0.0 108.327 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -93.89 164.04 13.27 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.445 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -56.14 -32.35 64.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.121 -0.987 . . . . 0.0 109.482 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.18 -26.93 62.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.772 -1.205 . . . . 0.0 109.746 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.424 ' OE2' ' O ' ' B' ' 61' ' ' LEU . 59.3 mt-10 -84.39 -46.42 11.73 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.801 0.81 . . . . 0.0 110.255 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -67.68 -42.87 81.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.849 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -62.51 -37.92 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.477 -0.764 . . . . 0.0 110.642 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.95 -35.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.962 -1.086 . . . . 0.0 108.879 -179.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.451 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.4 tm? -70.45 -51.51 28.73 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.523 -0.735 . . . . 0.0 112.841 -178.156 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 34.4 m -59.75 -34.82 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.531 -1.356 . . . . 0.0 109.261 -178.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.5 -41.04 85.14 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.801 0.81 . . . . 0.0 110.42 178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -25.9 60.57 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.327 -0.858 . . . . 0.0 112.531 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -78.62 -44.87 22.88 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.163 -1.586 . . . . 0.0 109.884 -178.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -53.19 -49.6 66.37 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.063 -1.023 . . . . 0.0 109.737 179.04 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 15.1 m -60.01 -41.42 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.167 -0.958 . . . . 0.0 110.123 178.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.93 -23.93 65.64 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.505 -0.747 . . . . 0.0 109.185 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.61 -48.13 34.94 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.51 -0.744 . . . . 0.0 110.098 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -59.99 -43.41 95.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.211 -0.931 . . . . 0.0 110.166 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.02 -39.95 94.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.325 -0.86 . . . . 0.0 110.75 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 65.2 t80 -88.51 -3.72 58.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.088 -1.007 . . . . 0.0 110.249 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -88.89 -24.12 22.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.09 -1.006 . . . . 0.0 109.449 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -85.24 -12.16 53.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 0.0 109.586 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -70.08 -39.86 75.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.118 -0.989 . . . . 0.0 109.158 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.419 ' O ' ' OXT' ' B' ' 93' ' ' SER . 25.1 t-20 -87.93 -7.84 56.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.498 -0.751 . . . . 0.0 109.251 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.419 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 23.9 t . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.683 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.609 ' C ' ' H ' ' X' ' 4' ' ' LYS . 46.2 ptt85 -156.16 161.71 40.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.261 -0.899 . . . . 0.0 108.856 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m 63.78 -18.88 0.06 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.437 -0.789 . . . . 0.0 110.252 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.609 ' H ' ' C ' ' X' ' 2' ' ' ARG . 13.3 mptt -100.66 135.02 42.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.279 -0.888 . . . . 0.0 109.625 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.441 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 4.6 pt -110.57 127.17 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-O 121.619 0.723 . . . . 0.0 109.103 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -122.31 21.57 10.3 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.516 ' N ' ' OD2' ' A' ' 46' ' ' ASP . 43.0 t90 -58.86 -49.8 76.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.974 -178.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.855 ' ND2' ' H ' ' A' ' 46' ' ' ASP . 13.3 m-20 -51.4 -34.87 36.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.162 -1.587 . . . . 0.0 108.432 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -55.05 -26.1 35.23 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.483 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.7 tt -53.42 -33.91 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.413 ' C ' ' CD1' ' X' ' 11' ' ' LEU . 3.1 tm? -64.15 -46.19 85.15 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.819 179.435 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.181 0.515 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -99.48 132.16 45.0 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p -135.13 73.12 1.46 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -140.76 158.18 44.34 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.553 0.692 . . . . 0.0 109.873 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 10.5 pt -87.56 121.15 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 108.945 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 87.2 m-20 -113.06 22.35 14.45 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.39 -0.819 . . . . 0.0 110.282 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.535 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 31.3 t90 -57.95 -48.71 79.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.143 -0.973 . . . . 0.0 110.997 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.583 ' N ' ' OD2' ' B' ' 46' ' ' ASP . 0.1 OUTLIER -49.37 -38.69 29.39 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.151 -1.593 . . . . 0.0 108.525 179.703 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.578 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 15.6 ttpp -57.3 -24.35 54.46 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.535 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 14.0 tt -54.7 -37.87 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.41 ' N ' HG21 ' Y' ' 10' ' ' ILE . 45.0 tp -66.38 -40.1 89.47 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.614 178.997 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.535 5.261 0 N-CA-C 119.332 2.493 . . . . 0.0 119.332 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.41 ' OG ' ' CD ' ' B' ' 40' ' ' GLU . 46.9 t -80.77 159.95 25.03 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.454 . . . . 0.0 109.069 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.483 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 37.2 mp0 -52.19 -46.22 65.47 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.36 -0.838 . . . . 0.0 110.188 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 27.7 mt -70.3 -40.13 74.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.312 -0.868 . . . . 0.0 110.277 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.52 -27.93 67.39 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.099 -1.001 . . . . 0.0 108.937 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.3 m -59.35 -45.0 92.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.917 . . . . 0.0 109.726 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.84 70.76 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.1 ttt -69.6 -50.84 40.65 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.184 -1.572 . . . . 0.0 110.328 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.68 -32.69 70.03 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.77 -0.582 . . . . 0.0 112.095 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.68 -53.41 34.0 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.42 -178.342 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.1 mp -50.65 -39.86 51.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.62 -1.3 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.439 HG22 HD12 ' A' ' 12' ' ' ILE . 79.1 mt -66.53 -38.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.38 -0.825 . . . . 0.0 111.527 -178.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -79.6 -42.0 25.9 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.997 -1.689 . . . . 0.0 112.486 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 8.8 p -59.79 -39.4 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 120.5 -1.375 . . . . 0.0 108.483 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.44 ' O ' ' OG ' ' A' ' 19' ' ' SER . 0.2 OUTLIER -60.41 -38.89 85.45 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -62.83 -36.24 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.444 -1.41 . . . . 0.0 110.364 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -57.4 13.21 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.172 -0.955 . . . . 0.0 113.499 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.6 m80 -84.72 -40.19 17.62 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.758 -1.214 . . . . 0.0 111.804 -177.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 60.2 p -56.74 -29.96 63.06 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.279 -0.888 . . . . 0.0 112.672 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.16 16.49 59.21 Favored Glycine 0 N--CA 1.503 3.162 0 O-C-N 120.577 -1.327 . . . . 0.0 111.445 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -125.74 -64.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.246 -1.15 . . . . 0.0 109.492 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.509 ' OE1' ' CE ' ' A' ' 31' ' ' LYS . 98.6 mt-10 -91.31 18.53 6.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.358 -0.839 . . . . 0.0 111.668 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -154.28 -156.08 7.52 Favored Glycine 0 N--CA 1.497 2.743 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.363 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 35.8 t0 -79.84 157.71 26.94 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 67.8 mttm -57.53 -50.15 74.03 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.066 -1.021 . . . . 0.0 112.176 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.443 ' OH ' ' O ' ' B' ' 86' ' ' ASN . 9.0 t80 -109.01 21.46 17.17 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 120.274 -1.516 . . . . 0.0 110.926 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -141.32 148.07 39.15 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 122.485 1.136 . . . . 0.0 110.178 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.424 ' CB ' ' O ' ' A' ' 69' ' ' VAL . 6.6 tp -92.51 166.27 12.61 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.873 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.9 t -131.23 163.14 28.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.31 -0.869 . . . . 0.0 110.321 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -50.27 -39.61 45.65 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.981 -1.088 . . . . 0.0 112.015 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.509 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 9.5 ttpp -75.96 -29.89 58.45 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 119.756 -1.84 . . . . 0.0 109.977 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.564 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 83.4 mt-10 -71.47 -40.5 70.24 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.962 -1.086 . . . . 0.0 111.69 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.14 -39.57 90.56 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.382 -1.449 . . . . 0.0 108.003 178.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' O ' ' CB ' ' A' ' 38' ' ' GLN . 12.0 tptm -60.75 -39.38 88.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.72 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -73.96 -51.72 15.1 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 40.2 mt -60.91 -41.12 95.5 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 119.861 -1.774 . . . . 0.0 109.747 -178.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 70.6 mt -70.11 -37.94 75.48 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 122.231 1.015 . . . . 0.0 110.019 -179.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.484 ' NE2' ' CD ' ' A' ' 48' ' ' GLN . 45.5 tt0 -75.93 -39.75 55.53 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.537 0.684 . . . . 0.0 111.34 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.552 -0.717 . . . . 0.0 112.292 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 62.1 mm-40 -101.1 -24.06 14.36 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.926 -1.109 . . . . 0.0 111.779 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.2 mt -118.2 32.8 5.95 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.49 ' OG ' ' N ' ' A' ' 43' ' ' SER . 0.1 OUTLIER -51.85 -62.53 1.57 Allowed 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.818 0.818 . . . . 0.0 109.93 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' OG ' ' A' ' 42' ' ' SER . 58.4 m -70.38 -23.51 62.79 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.625 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.4 t80 -82.57 -104.75 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.14 -1.6 . . . . 0.0 110.257 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.625 ' O ' ' O ' ' A' ' 44' ' ' PHE . 4.3 mp -16.34 151.23 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.364 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.461 173.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.855 ' H ' ' ND2' ' X' ' 8' ' ' ASN . 0.2 OUTLIER -89.93 95.34 10.18 Favored 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 123.83 3.014 . . . . 0.0 107.738 174.326 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 5.2 t -126.82 -69.74 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 O-C-N 121.051 -1.03 . . . . 0.0 109.298 -179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' CD ' ' NE2' ' A' ' 38' ' ' GLN . 21.1 mm100 -68.75 -45.05 72.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.928 -1.107 . . . . 0.0 112.082 -177.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.58 -51.21 70.37 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 98.2 m-20 -101.38 94.78 6.1 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.56 78.3 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.31 -39.5 83.27 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.51 -36.4 64.18 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 118.568 -1.253 . . . . 0.0 108.651 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -39.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.218 -1.551 . . . . 0.0 108.118 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.22 -40.29 86.39 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.414 -0.804 . . . . 0.0 112.395 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.26 -40.0 86.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.336 -1.478 . . . . 0.0 109.281 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -68.26 -49.88 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-O 121.516 0.674 . . . . 0.0 110.461 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -59.89 -42.17 93.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.392 -0.817 . . . . 0.0 110.615 -179.373 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.51 94.21 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -59.54 -26.86 65.7 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.548 ' C ' ' H ' ' A' ' 63' ' ' GLU . 23.8 mt -94.24 -18.13 21.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.864 -0.522 . . . . 0.0 110.485 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 58' ' ' MET . 99.8 m-20 -75.58 43.7 0.25 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 61' ' ' LEU . 47.7 mt-10 -61.12 -42.98 99.51 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.092 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -76.47 -14.84 60.02 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.8 31.39 70.17 Favored Glycine 0 N--CA 1.484 1.839 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -92.05 -9.71 41.78 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.843 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.85 14.93 70.96 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.05 176.73 8.45 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' LEU . 2.4 t -134.38 124.15 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 38.0 p-10 -103.43 -22.36 13.66 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.229 -1.544 . . . . 0.0 111.319 -177.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER 159.81 -80.92 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.449 -0.782 . . . . 0.0 110.352 178.519 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.426 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 7.3 tt0 -38.09 -23.94 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 CA-C-O 121.772 0.796 . . . . 0.0 110.051 -177.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 71' ' ' PHE . 92.6 mt-10 -82.97 -46.84 12.41 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.813 -1.179 . . . . 0.0 109.482 179.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 71' ' ' PHE . 46.8 t80 -66.09 -55.4 16.7 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.539 -0.726 . . . . 0.0 112.441 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -59.88 -31.32 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.279 -0.888 . . . . 0.0 110.013 -177.697 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 72' ' ' GLN . 43.5 t -63.37 -37.81 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.358 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.465 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.3 tm? -70.41 -57.86 4.36 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.331 -0.856 . . . . 0.0 112.183 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 79' ' ' ALA . 14.9 m -60.1 -40.15 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.117 -0.989 . . . . 0.0 109.31 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.444 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -59.4 -43.25 93.02 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-O 121.833 0.825 . . . . 0.0 109.583 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.7 59.89 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.1 mp -83.18 -46.52 12.62 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 119.601 -1.937 . . . . 0.0 110.233 -178.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.535 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 6.1 t -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.954 -1.092 . . . . 0.0 110.675 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.447 HG22 ' N ' ' A' ' 84' ' ' ALA . 17.1 m -59.66 -42.06 87.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 O-C-N 120.181 -1.574 . . . . 0.0 108.875 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.447 ' N ' HG22 ' A' ' 83' ' ' VAL . . . -63.43 -25.46 68.28 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.535 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.2 p -75.05 -37.27 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.213 -0.929 . . . . 0.0 109.042 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.415 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 28.4 t-20 -60.24 -40.43 90.2 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.79 -39.87 86.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -91.69 0.1 57.52 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.223 -0.923 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 64.6 t80 -83.2 -9.56 59.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.452 -0.78 . . . . 0.0 109.292 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -67.76 -21.03 65.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.545 -0.722 . . . . 0.0 109.65 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.9 -39.43 89.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.206 -0.934 . . . . 0.0 108.777 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -88.62 -8.02 55.38 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.38 -0.825 . . . . 0.0 109.147 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.3 -1.545 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.468 179.483 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.843 0 N-CA-C 119.392 2.517 . . . . 0.0 119.392 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.54 ' HG ' ' N ' ' B' ' 3' ' ' GLU . 44.9 t -79.81 158.96 26.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.02 -1.283 . . . . 0.0 109.367 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.54 ' N ' ' HG ' ' B' ' 2' ' ' SER . 40.2 mp0 -51.27 -47.04 62.6 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.87 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.7 mt -70.07 -39.6 75.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.435 -0.79 . . . . 0.0 110.351 -179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.9 -27.43 66.63 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.878 -1.139 . . . . 0.0 109.007 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 90.3 m -59.4 -45.55 91.19 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.87 0.843 . . . . 0.0 109.426 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.98 68.97 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ttt -70.04 -50.07 44.96 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 110.38 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.36 -34.51 70.54 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.524 -0.735 . . . . 0.0 111.916 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -64.58 -53.81 41.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.413 -1.43 . . . . 0.0 109.5 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.3 mp -50.48 -40.3 50.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.51 -1.369 . . . . 0.0 109.22 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.231 -0.918 . . . . 0.0 111.635 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -78.45 -42.23 30.5 Favored 'General case' 0 N--CA 1.512 2.63 0 O-C-N 120.025 -1.672 . . . . 0.0 112.764 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.433 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 8.5 p -59.55 -40.15 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.459 -1.401 . . . . 0.0 108.102 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.433 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 0.2 OUTLIER -59.91 -38.8 83.34 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -63.56 -35.9 82.03 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.501 -1.374 . . . . 0.0 110.049 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -57.1 14.55 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.138 -0.977 . . . . 0.0 113.284 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -84.57 -40.24 17.79 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.919 -1.113 . . . . 0.0 112.025 -177.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 59.6 p -57.26 -29.31 63.73 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.458 -0.776 . . . . 0.0 113.012 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.13 14.15 62.75 Favored Glycine 0 N--CA 1.5 2.921 0 O-C-N 120.68 -1.263 . . . . 0.0 111.157 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -125.41 -63.7 1.12 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.334 -1.097 . . . . 0.0 109.972 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.498 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 99.5 mt-10 -91.63 18.52 7.37 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.322 -0.861 . . . . 0.0 111.615 -177.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.566 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -153.81 -156.77 7.79 Favored Glycine 0 N--CA 1.495 2.619 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.552 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 38.6 t0 -78.88 158.13 28.15 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 67.0 mttm -57.8 -50.56 72.86 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 119.091 -1.044 . . . . 0.0 112.135 -177.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.413 ' OH ' ' OD1' ' A' ' 86' ' ' ASN . 9.2 t80 -109.0 21.43 17.22 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 120.267 -1.521 . . . . 0.0 111.133 -178.084 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -140.64 147.71 39.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.878 -1.139 . . . . 0.0 110.084 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.416 ' CB ' ' O ' ' B' ' 69' ' ' VAL . 5.9 tp -91.31 166.98 12.63 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.937 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.426 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 28.7 t -132.04 163.53 28.23 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -50.76 -38.51 48.26 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 118.87 -1.132 . . . . 0.0 112.325 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.498 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 9.7 ttpp -76.98 -30.31 55.91 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 119.754 -1.841 . . . . 0.0 109.546 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.566 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 83.2 mt-10 -70.64 -41.59 71.99 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 pp -59.79 -39.98 86.76 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.151 -1.593 . . . . 0.0 108.221 177.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.409 ' O ' ' CB ' ' B' ' 38' ' ' GLN . 11.3 tptm -60.69 -38.9 86.49 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.03 -51.58 15.42 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 46.3 mt -61.57 -41.47 97.44 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 119.946 -1.721 . . . . 0.0 109.687 -178.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -69.66 -36.65 76.23 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 122.013 0.911 . . . . 0.0 109.763 -179.41 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . 41.6 tt0 -76.7 -39.89 50.55 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.806 0.812 . . . . 0.0 111.417 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.72 -0.613 . . . . 0.0 112.159 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 55.2 mm-40 -101.28 -24.98 14.14 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.765 -1.209 . . . . 0.0 111.417 -177.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.0 mt -115.81 30.22 7.48 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -49.92 -62.55 1.5 Allowed 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.62 0.724 . . . . 0.0 110.137 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.498 ' C ' ' HZ1' ' B' ' 49' ' ' LYS . 63.0 m -71.12 -23.15 62.03 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.826 -0.546 . . . . 0.0 112.372 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 4.0 t80 -83.1 -91.76 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.273 -1.517 . . . . 0.0 112.623 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.438 ' N ' ' CG ' ' B' ' 44' ' ' PHE . 2.4 mp -39.07 158.98 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -177.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER -89.5 94.94 10.06 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 122.329 2.331 . . . . 0.0 107.826 177.283 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 6.8 t -127.38 -68.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.706 -179.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.495 ' CD ' ' NE2' ' B' ' 38' ' ' GLN . 19.9 mm100 -68.99 -43.53 74.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.058 -1.026 . . . . 0.0 112.052 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.498 ' HZ1' ' C ' ' B' ' 43' ' ' SER . 0.0 OUTLIER -62.02 -51.68 67.03 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.246 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 95.3 m-20 -101.28 94.82 6.14 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.82 79.58 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.87 -39.85 86.66 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.05 61.74 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.516 -1.274 . . . . 0.0 108.621 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -39.78 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.181 -1.574 . . . . 0.0 107.522 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -66.06 -41.43 90.79 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -66.6 -39.76 88.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.174 -1.579 . . . . 0.0 109.257 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 44.0 mt -68.44 -49.13 68.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-O 121.475 0.655 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.438 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -60.81 -40.44 92.72 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.709 -0.62 . . . . 0.0 110.802 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -45.43 92.67 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.89 -25.31 64.99 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.546 ' C ' ' H ' ' B' ' 63' ' ' GLU . 19.2 mt -94.96 -19.41 20.25 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.85 -0.531 . . . . 0.0 110.278 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.438 ' OD1' ' SD ' ' B' ' 58' ' ' MET . 98.7 m-20 -74.78 43.23 0.19 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.382 -1.449 . . . . 0.0 107.742 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.546 ' H ' ' C ' ' B' ' 61' ' ' LEU . 47.1 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.397 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -75.74 -15.51 60.27 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.98 30.49 67.8 Favored Glycine 0 N--CA 1.482 1.702 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 30.8 p-10 -91.5 -9.45 44.37 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.285 -1.126 . . . . 0.0 111.004 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.43 16.4 71.48 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -140.11 175.44 9.59 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.416 ' O ' ' CB ' ' B' ' 28' ' ' LEU . 2.5 t -132.54 124.56 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 39.2 p-10 -103.33 -23.31 13.59 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.311 -1.493 . . . . 0.0 111.109 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.2 OUTLIER 160.61 -80.48 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.41 -0.806 . . . . 0.0 110.661 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.441 ' O ' ' CG2' ' B' ' 76' ' ' VAL . 7.4 tt0 -38.85 -23.73 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 121.584 0.707 . . . . 0.0 109.973 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' B' ' 71' ' ' PHE . 91.2 mt-10 -82.66 -45.07 14.96 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.864 -1.148 . . . . 0.0 109.685 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 71' ' ' PHE . 48.4 t80 -67.85 -54.8 16.11 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.729 -0.607 . . . . 0.0 112.573 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -60.13 -31.1 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 109.703 -177.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 72' ' ' GLN . 54.7 t -62.85 -39.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 120.9 -1.125 . . . . 0.0 109.512 177.667 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.464 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.3 tm? -69.69 -57.75 4.76 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.923 -1.111 . . . . 0.0 112.284 -177.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.41 ' CG2' ' N ' ' B' ' 79' ' ' ALA . 19.7 m -60.36 -40.2 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.727 -1.233 . . . . 0.0 109.268 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -59.74 -40.04 86.73 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.701 0.763 . . . . 0.0 110.146 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.54 -23.44 53.63 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.372 -0.83 . . . . 0.0 113.006 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.45 -46.11 12.88 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 119.451 -2.031 . . . . 0.0 110.063 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.506 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 6.0 t -55.26 -42.02 72.97 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.243 -0.911 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.427 HG21 ' N ' ' B' ' 84' ' ' ALA . 18.5 m -59.53 -40.65 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.502 -1.374 . . . . 0.0 108.755 177.007 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.427 ' N ' HG21 ' B' ' 83' ' ' VAL . . . -65.13 -25.43 67.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.506 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.0 OUTLIER -75.36 -36.97 60.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.443 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 28.4 t-20 -60.06 -40.21 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 109.902 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -90.93 0.25 57.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.141 -0.974 . . . . 0.0 109.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 62.6 t80 -83.66 -9.92 58.55 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.28 -0.887 . . . . 0.0 109.207 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -67.24 -20.95 65.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.102 -0.999 . . . . 0.0 109.678 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.53 -40.12 90.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.931 -1.106 . . . . 0.0 108.951 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -88.38 -6.99 57.37 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.553 -0.717 . . . . 0.0 109.147 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.516 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.445 ' O ' ' OD2' ' X' ' 6' ' ' ASP . 50.6 p . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -67.25 -19.39 65.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.212 -0.93 . . . . 0.0 109.228 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 71.5 p -80.02 169.96 17.12 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.392 -0.818 . . . . 0.0 110.075 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.548 ' O ' ' O ' ' X' ' 5' ' ' ILE . 13.7 mptt 55.72 33.76 22.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.674 -0.641 . . . . 0.0 109.369 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . 0.548 ' O ' ' O ' ' X' ' 4' ' ' LYS . 0.1 OUTLIER 44.42 170.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 CA-C-O 121.982 0.896 . . . . 0.0 111.075 179.431 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' X' ' 1' ' ' THR . 53.8 m-20 -159.66 13.53 0.14 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.576 ' CZ3' ' CZ ' ' A' ' 44' ' ' PHE . 38.6 t90 -59.99 -50.1 75.08 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.443 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 7.0 t-20 -53.02 -33.75 53.16 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 119.732 -1.855 . . . . 0.0 108.682 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -63.27 -25.69 68.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.518 ' N ' ' O ' ' X' ' 7' ' ' TRP . 8.9 tt -50.36 -36.44 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.415 ' N ' HG21 ' X' ' 10' ' ' ILE . 41.3 tp -69.96 -39.95 75.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.106 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.498 179.77 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.442 ' O ' ' OG1' ' Y' ' 3' ' ' THR . 14.9 ptm180 -100.01 8.61 43.88 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.361 -0.837 . . . . 0.0 110.098 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . 0.448 ' O ' ' OG1' ' Y' ' 3' ' ' THR . 3.2 p 60.46 87.73 0.09 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -0.951 . . . . 0.0 109.296 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . 0.523 ' N ' ' CD ' ' Y' ' 4' ' ' LYS . 10.2 mptt -62.44 -53.25 57.62 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.422 -0.799 . . . . 0.0 110.47 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 tt -172.73 134.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -146.11 9.06 1.1 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.601 ' CZ3' ' CZ ' ' B' ' 44' ' ' PHE . 48.4 t90 -59.99 -49.61 76.98 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.312 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.534 ' ND2' ' CD1' ' B' ' 57' ' ' ILE . 0.2 OUTLIER -51.33 -38.54 53.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 119.717 -1.865 . . . . 0.0 108.463 -179.156 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.408 ' O ' ' OXT' ' Y' ' 12' ' ' SER . 0.6 OUTLIER -60.25 -23.4 64.06 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.541 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.547 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 13.2 tt -50.46 -39.75 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.8 tp -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . 0.408 ' OXT' ' O ' ' Y' ' 9' ' ' LYS . 1.4 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.342 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.824 0 N-CA-C 119.716 2.646 . . . . 0.0 119.716 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -86.1 35.32 0.64 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.32 -1.106 . . . . 0.0 108.884 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.5 tt -60.16 -40.38 89.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.693 -1.255 . . . . 0.0 108.887 -179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -36.54 77.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.981 . . . . 0.0 109.062 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.495 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.3 m -53.56 -46.1 70.13 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.47 -0.769 . . . . 0.0 110.437 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.53 72.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.8 -0.563 . . . . 0.0 112.509 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.3 ttt -69.02 -50.0 52.64 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.787 -1.196 . . . . 0.0 110.757 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.49 -29.45 68.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.697 -0.627 . . . . 0.0 110.306 -176.394 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.2 -56.96 13.5 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.392 -179.673 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -50.09 -39.97 44.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.059 -1.651 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.439 HD13 HG23 ' A' ' 12' ' ' ILE . 60.8 mt -66.92 -25.61 34.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.112 -0.992 . . . . 0.0 109.778 179.415 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.74 -53.4 7.57 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.181 -0.949 . . . . 0.0 112.152 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.466 ' CG2' ' N ' ' A' ' 15' ' ' PHE . 22.9 m -65.09 -48.49 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 110.926 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.466 ' N ' ' CG2' ' A' ' 14' ' ' VAL . 4.6 t80 -60.0 -41.72 92.69 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.149 -0.969 . . . . 0.0 109.559 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.0 -40.04 92.02 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.313 -1.492 . . . . 0.0 109.386 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -55.88 28.43 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 92.2 m-70 -82.6 -41.29 19.7 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.904 -1.123 . . . . 0.0 111.879 -177.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 20.3 m -52.66 -28.42 21.52 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.333 -0.855 . . . . 0.0 112.161 -178.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.92 11.43 49.09 Favored Glycine 0 N--CA 1.504 3.196 0 O-C-N 120.739 -1.226 . . . . 0.0 111.244 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.569 ' C ' ' H ' ' A' ' 23' ' ' GLY . 95.0 mttt -127.01 -74.38 0.59 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.031 -1.276 . . . . 0.0 109.269 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' OE1' ' OD2' ' A' ' 35' ' ' ASP . 98.9 mt-10 -64.91 15.16 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 110.402 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.569 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -171.15 176.45 44.48 Favored Glycine 0 N--CA 1.484 1.842 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 23' ' ' GLY . 95.5 m-20 -36.84 163.14 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.037 0.922 . . . . 0.0 110.941 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.12 -50.11 65.14 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.563 -0.711 . . . . 0.0 111.733 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -131.6 39.3 3.51 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.828 -1.17 . . . . 0.0 111.861 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -137.35 143.08 41.84 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.753 -1.217 . . . . 0.0 109.57 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -96.62 102.37 14.15 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 122.298 1.046 . . . . 0.0 108.513 -179.357 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLU . 78.6 p -72.48 157.02 38.41 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 120.744 -1.223 . . . . 0.0 108.531 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' SER . 0.1 OUTLIER -46.97 -32.04 3.6 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.141 178.078 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -75.12 -34.95 61.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 108.447 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 14.0 mm-40 -61.58 -39.98 93.09 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 38.5 mt -60.02 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 122.078 0.942 . . . . 0.0 109.801 178.415 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -51.84 -45.55 64.04 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.348 -176.135 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.464 ' O ' ' OG1' ' A' ' 39' ' ' THR . 76.8 m-20 -72.61 -26.92 61.86 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.366 -0.834 . . . . 0.0 111.287 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -69.03 -56.46 7.68 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.177 -1.577 . . . . 0.0 109.914 -178.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.426 ' H ' HD22 ' A' ' 37' ' ' LEU . 1.2 mm? -69.33 -40.08 77.79 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.811 0.815 . . . . 0.0 110.705 -178.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 9.0 tt0 -69.71 -40.36 76.34 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.6 0.714 . . . . 0.0 112.917 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.9 m -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 112.271 -175.268 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 44.3 mp0 -100.21 -17.62 17.27 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.95 -1.094 . . . . 0.0 111.741 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 16.0 mt -131.54 50.05 2.27 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 120.942 -1.099 . . . . 0.0 110.208 -178.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.45 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 41.1 t -63.36 -48.77 76.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.05 -1.031 . . . . 0.0 110.296 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 m -68.35 -40.44 81.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.54 -0.725 . . . . 0.0 112.457 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' O ' ' C ' ' A' ' 45' ' ' LEU . 22.2 t80 -86.52 -105.68 0.06 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.477 -1.389 . . . . 0.0 111.741 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 44' ' ' PHE . 1.9 mp -9.08 130.44 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.131 0 CA-C-O 115.201 -2.333 . . . . 0.0 109.288 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.477 ' OD2' ' OD2' ' A' ' 50' ' ' ASP . 15.0 t0 -90.17 110.47 21.5 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-N 127.491 4.678 . . . . 0.0 109.551 177.696 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.403 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 6.5 m -144.82 -40.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.643 -1.285 . . . . 0.0 110.814 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.403 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 6.4 tm0? -93.47 -34.22 13.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.091 -1.006 . . . . 0.0 111.889 -177.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 23.3 mtmm -69.25 -26.8 64.96 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.967 -1.083 . . . . 0.0 109.561 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 p-10 -140.22 87.91 2.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.994 -1.066 . . . . 0.0 108.231 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.56 -25.21 3.86 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.01 -40.02 87.81 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.457 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.91 -39.83 86.75 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.094 -1.043 . . . . 0.0 108.713 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.98 61.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.114 -0.991 . . . . 0.0 109.312 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.97 -40.03 75.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.216 . . . . 0.0 110.983 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.82 -40.06 76.11 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 65.3 mt -66.94 -56.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.718 0.771 . . . . 0.0 110.337 -179.599 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.407 ' SD ' ' CG ' ' A' ' 30' ' ' LYS . 4.2 ttt -59.99 -33.99 72.71 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.709 -0.619 . . . . 0.0 109.889 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -60.05 -41.18 91.76 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.99 -26.41 66.79 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.555 ' C ' ' H ' ' A' ' 63' ' ' GLU . 25.6 mt -86.61 -30.75 21.57 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.464 -0.773 . . . . 0.0 109.418 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.42 47.61 0.23 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 61' ' ' LEU . 94.6 mt-10 -59.94 -40.75 90.03 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.643 -0.823 . . . . 0.0 108.979 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -74.13 -24.7 59.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.09 17.21 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 38.0 p-10 -96.14 -10.54 27.98 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.491 -1.005 . . . . 0.0 112.071 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.64 -2.06 87.23 Favored Glycine 0 N--CA 1.505 3.271 0 O-C-N 120.872 -1.143 . . . . 0.0 111.206 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 24.0 mp0 -141.98 173.6 11.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.363 -1.669 . . . . 0.0 108.411 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.4 t -126.14 129.96 72.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.689 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.546 ' O ' ' HB2' ' A' ' 71' ' ' PHE . 32.7 p-10 -105.88 -13.49 15.49 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.859 -1.151 . . . . 0.0 112.772 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER 152.88 -86.99 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.948 0 CA-C-N 118.826 0.739 . . . . 0.0 110.923 176.724 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 71' ' ' PHE . 57.4 tt0 -37.1 -24.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 110.525 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 71' ' ' PHE . 96.9 mt-10 -82.5 -49.09 10.29 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 71' ' ' PHE . 72.8 t80 -63.15 -49.96 72.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.739 -0.601 . . . . 0.0 112.047 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.75 -35.84 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.02 -1.05 . . . . 0.0 109.113 -179.189 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.4 t -59.98 -39.98 81.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.458 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.2 tm? -65.97 -52.46 49.41 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.173 -0.955 . . . . 0.0 111.956 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.0 -39.2 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.898 -1.126 . . . . 0.0 109.011 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.88 84.02 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 122.348 1.07 . . . . 0.0 110.971 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.88 -24.73 60.89 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.01 -49.09 11.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.574 -1.954 . . . . 0.0 109.924 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t -49.29 -47.19 47.11 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.02 . . . . 0.0 110.443 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 84' ' ' ALA . 22.4 m -60.06 -41.06 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.992 -1.067 . . . . 0.0 109.987 178.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' N ' HG21 ' A' ' 83' ' ' VAL . . . -62.8 -23.81 67.43 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.484 -0.76 . . . . 0.0 109.47 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.33 -48.4 34.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.434 -0.791 . . . . 0.0 110.299 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -61.59 -41.76 97.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 109.743 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 49.3 t-20 -62.13 -40.07 94.71 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.442 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 65.2 t80 -82.48 -10.75 58.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.98 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.55 -34.09 35.7 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.258 -0.901 . . . . 0.0 108.599 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -77.19 -21.45 53.91 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.606 -0.684 . . . . 0.0 110.577 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -40.01 88.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.873 -1.142 . . . . 0.0 109.013 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 93' ' ' SER . 14.8 t-20 -83.83 -1.68 54.85 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 92' ' ' ASN . 32.5 t . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.378 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.947 0 N-CA-C 119.538 2.575 . . . . 0.0 119.538 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -85.84 35.61 0.63 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -1.088 . . . . 0.0 108.988 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.12 -39.92 87.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 110.142 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.6 tt -60.17 -40.3 89.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.765 -1.21 . . . . 0.0 108.947 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -36.62 77.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.054 -1.029 . . . . 0.0 108.997 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.511 ' O ' ' OG1' ' B' ' 10' ' ' THR . 22.3 m -53.4 -46.45 69.7 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.526 -0.734 . . . . 0.0 110.459 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -31.88 73.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.0 ttt -69.18 -50.05 51.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.85 -1.156 . . . . 0.0 110.747 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.4 -29.72 68.47 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.704 -0.622 . . . . 0.0 110.304 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.511 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -61.85 -57.23 12.62 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.371 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -49.85 -40.08 41.16 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.097 -1.627 . . . . 0.0 109.435 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.96 -25.48 34.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.112 -0.993 . . . . 0.0 109.84 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.22 -0.925 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 15' ' ' PHE . 21.6 m -64.92 -48.42 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.644 -0.66 . . . . 0.0 110.933 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.462 ' N ' ' CG2' ' B' ' 14' ' ' VAL . 4.9 t80 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.186 -0.946 . . . . 0.0 109.584 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.13 -39.97 92.05 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.357 -1.464 . . . . 0.0 109.38 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.03 -56.03 26.69 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 91.9 m-70 -82.42 -41.65 19.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.893 -1.13 . . . . 0.0 111.813 -177.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.8 m -52.54 -28.24 19.95 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.399 -0.813 . . . . 0.0 112.151 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.07 11.27 48.48 Favored Glycine 0 N--CA 1.503 3.101 0 O-C-N 120.769 -1.207 . . . . 0.0 111.381 -178.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . 0.577 ' C ' ' H ' ' B' ' 23' ' ' GLY . 95.0 mttt -126.87 -74.28 0.6 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.012 -1.287 . . . . 0.0 109.271 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.94 15.14 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.364 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.577 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -171.21 176.76 44.43 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 119.121 -1.514 . . . . 0.0 110.818 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 23' ' ' GLY . 95.1 m-20 -37.0 163.13 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.026 0.917 . . . . 0.0 110.981 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -53.09 -50.11 65.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.518 -0.739 . . . . 0.0 111.74 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.47 38.68 3.58 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.822 -1.173 . . . . 0.0 111.871 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -137.02 142.9 42.49 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.666 -1.271 . . . . 0.0 109.61 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.0 tp -96.41 102.37 14.15 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.353 1.073 . . . . 0.0 108.589 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 32' ' ' GLU . 78.7 p -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.289 -2.031 0 O-C-N 120.702 -1.249 . . . . 0.0 108.558 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.406 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 0.1 OUTLIER -46.92 -32.0 3.52 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.233 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -75.17 -34.9 61.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.431 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 13.8 mm-40 -61.62 -39.95 93.12 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 37.4 mt -60.09 -49.03 79.27 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.955 0.883 . . . . 0.0 109.685 178.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' B' ' 38' ' ' GLN . 0.2 OUTLIER -51.9 -45.69 64.3 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.286 -176.074 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.459 ' O ' ' OG1' ' B' ' 39' ' ' THR . 76.9 m-20 -72.44 -26.88 62.0 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.308 -0.87 . . . . 0.0 111.364 -178.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.426 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 0.9 OUTLIER -69.18 -56.4 7.75 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.186 -1.571 . . . . 0.0 109.935 -178.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.441 ' H ' HD23 ' B' ' 37' ' ' LEU . 1.3 mm? -69.55 -39.97 77.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.795 0.807 . . . . 0.0 110.632 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 9.4 tt0 -69.84 -40.23 75.95 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 97.8 m -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 0.0 112.311 -175.366 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 44.6 mp0 -100.06 -17.76 17.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.03 -1.044 . . . . 0.0 111.657 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 16.9 mt -131.39 49.92 2.28 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.96 -1.088 . . . . 0.0 110.172 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.449 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 42.4 t -63.13 -49.08 75.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.111 -0.993 . . . . 0.0 110.296 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.4 m -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.56 -0.712 . . . . 0.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.601 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.5 t80 -87.61 -91.95 0.11 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.641 -1.287 . . . . 0.0 113.171 -177.588 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.4 mp -32.33 137.53 0.06 Allowed 'General case' 0 N--CA 1.515 2.788 0 CA-C-O 116.899 -1.524 . . . . 0.0 108.19 -174.6 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.481 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 17.0 t0 -90.23 110.02 21.08 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-N 124.999 3.545 . . . . 0.0 109.054 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.413 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 10.0 m -145.04 -40.85 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.972 -1.08 . . . . 0.0 110.497 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.413 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 6.6 tm0? -93.37 -34.48 13.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 111.938 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 23.4 mtmm -68.92 -27.09 65.45 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.954 -1.091 . . . . 0.0 109.558 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 15.6 p-10 -140.4 87.82 2.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.041 -1.037 . . . . 0.0 108.268 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -24.99 3.52 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.05 -40.41 89.33 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.352 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -33.91 59.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.135 -0.978 . . . . 0.0 109.499 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -70.05 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.738 -1.226 . . . . 0.0 110.891 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -69.95 -40.1 75.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.187 -0.946 . . . . 0.0 109.956 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.534 ' CD1' ' ND2' ' Y' ' 8' ' ' ASN . 57.2 mt -66.84 -56.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.653 0.74 . . . . 0.0 110.224 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.406 ' SD ' ' CG ' ' B' ' 30' ' ' LYS . 4.3 ttt -59.96 -34.01 72.7 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.663 -0.648 . . . . 0.0 109.916 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -60.02 -41.27 91.82 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -24.09 65.24 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.555 ' C ' ' H ' ' B' ' 63' ' ' GLU . 23.9 mt -88.45 -30.76 19.19 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.505 -0.747 . . . . 0.0 109.117 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -73.54 47.55 0.24 Allowed 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' B' ' 61' ' ' LEU . 94.5 mt-10 -59.97 -40.68 89.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.611 -0.835 . . . . 0.0 108.884 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.19 -24.71 59.4 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.96 39.07 17.57 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 107.866 -2.094 . . . . 0.0 107.866 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 38.4 p-10 -96.02 -10.77 27.69 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.472 -1.017 . . . . 0.0 112.083 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.6 -1.74 87.21 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 120.87 -1.144 . . . . 0.0 111.231 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 24.1 mp0 -142.13 173.63 11.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.476 -1.603 . . . . 0.0 108.299 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.5 t -125.96 130.01 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.545 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 33.9 p-10 -105.69 -13.89 15.43 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.823 -1.173 . . . . 0.0 112.749 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.1 OUTLIER 153.15 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.946 0 CA-C-N 118.83 0.741 . . . . 0.0 110.915 176.819 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' B' ' 71' ' ' PHE . 57.0 tt0 -37.23 -24.49 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' B' ' 71' ' ' PHE . 97.0 mt-10 -82.71 -49.17 10.05 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' B' ' 71' ' ' PHE . 72.5 t80 -62.85 -50.02 72.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.653 -0.654 . . . . 0.0 112.059 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -57.84 -35.75 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.142 -179.054 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 44.9 t -60.02 -39.91 81.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.441 178.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.461 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.3 tm? -66.08 -52.37 49.51 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.152 -0.967 . . . . 0.0 112.015 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 1.4 t -60.06 -39.09 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.834 -1.166 . . . . 0.0 108.904 -178.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -60.04 -47.74 84.59 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.398 1.094 . . . . 0.0 111.042 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.11 -24.66 60.66 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.17 -48.77 11.66 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 119.592 -1.942 . . . . 0.0 109.993 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 2.8 t -49.63 -47.2 49.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 110.39 178.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.409 HG21 ' N ' ' B' ' 84' ' ' ALA . 24.9 m -60.04 -41.17 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.059 -1.026 . . . . 0.0 110.129 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.409 ' N ' HG21 ' B' ' 83' ' ' VAL . . . -62.54 -23.89 67.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.53 -0.732 . . . . 0.0 109.41 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.44 -48.14 36.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.391 -0.818 . . . . 0.0 110.331 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.65 -41.77 97.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.102 -0.999 . . . . 0.0 109.819 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 48.9 t-20 -62.12 -39.95 94.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 110.361 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.436 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 65.1 t80 -82.49 -11.17 58.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.862 . . . . 0.0 109.979 -178.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.73 -34.64 39.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.257 -0.902 . . . . 0.0 108.686 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -77.03 -21.51 54.45 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.624 -0.673 . . . . 0.0 110.572 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.775 -1.203 . . . . 0.0 109.107 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -83.77 -1.85 55.09 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.375 -0.828 . . . . 0.0 108.983 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 31.9 t . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.407 -179.835 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' X' X ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 2' ' ' ARG . . . . . 0.495 ' N ' ' OG1' ' X' ' 1' ' ' THR . 7.8 tpp85 -100.03 130.01 46.14 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.154 -0.966 . . . . 0.0 109.421 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 31.7 m -84.66 121.6 27.89 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.135 -0.978 . . . . 0.0 109.199 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 4' ' ' LYS . . . . . 0.441 ' CD ' ' N ' ' X' ' 4' ' ' LYS . 0.7 OUTLIER -64.52 -51.96 60.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.216 -0.927 . . . . 0.0 109.639 -179.641 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 pt -143.66 131.52 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.474 -0.766 . . . . 0.0 108.977 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -124.66 9.31 8.31 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.88 0.848 . . . . 0.0 109.436 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 7' ' ' TRP . . . . . 0.62 ' CG ' ' N ' ' X' ' 8' ' ' ASN . 4.8 p-90 -60.03 -48.56 81.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.207 -0.933 . . . . 0.0 110.291 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 8' ' ' ASN . . . . . 0.62 ' N ' ' CG ' ' X' ' 7' ' ' TRP . 3.7 p30 -46.31 -39.76 10.66 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.423 -1.423 . . . . 0.0 109.967 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -59.18 -24.06 62.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' X' X ' 10' ' ' ILE . . . . . 0.606 ' N ' ' O ' ' X' ' 7' ' ' TRP . 7.1 tt -49.73 -36.22 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 11' ' ' LEU . . . . . 0.43 ' CD2' ' C ' ' X' ' 11' ' ' LEU . 7.5 tt -67.95 -43.28 79.42 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.5 179.69 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' Y' Y ' 1' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' Y' ' 2' ' ' ARG . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.313 0.578 . . . . 0.0 109.518 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 2' ' ' ARG . . . . . 0.446 ' N ' ' OG1' ' Y' ' 1' ' ' THR . 36.9 ptt180 -77.49 -10.09 59.28 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.379 -0.826 . . . . 0.0 109.695 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 10.1 t -134.39 141.56 46.89 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.357 -0.839 . . . . 0.0 109.342 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -120.04 -41.03 2.67 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.572 -0.705 . . . . 0.0 109.798 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 12.1 pt -132.2 132.33 60.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -128.42 12.43 6.46 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.209 -0.932 . . . . 0.0 109.3 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' Y' Y ' 7' ' ' TRP . . . . . 0.605 ' O ' ' N ' ' Y' ' 10' ' ' ILE . 5.3 p-90 -60.05 -47.33 86.29 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.024 0.916 . . . . 0.0 109.207 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 8' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 3.5 p30 -48.26 -38.29 18.34 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.391 -1.443 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 9' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' Y' ' 12' ' ' SER . 25.1 ttpt -59.84 -23.27 63.24 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 10' ' ' ILE . . . . . 0.605 ' N ' ' O ' ' Y' ' 7' ' ' TRP . 8.2 tt -49.96 -34.54 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.31 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' Y' Y ' 11' ' ' LEU . . . . . 0.427 ' N ' HG23 ' Y' ' 10' ' ' ILE . 0.0 OUTLIER -69.95 -40.01 75.72 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.518 179.378 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 36.0 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.465 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.517 2.567 . . . . 0.0 119.517 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -89.87 20.44 4.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.866 -1.373 . . . . 0.0 109.788 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 32.8 mp0 -59.96 -40.06 87.72 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.162 -0.961 . . . . 0.0 110.278 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.94 -43.69 98.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.452 -1.405 . . . . 0.0 109.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.02 -36.92 78.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.506 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.1 m -55.67 -50.24 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.652 0.739 . . . . 0.0 110.416 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.82 73.17 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.0 -47.42 62.24 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.621 -1.299 . . . . 0.0 110.154 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.03 -25.05 63.38 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.746 -0.597 . . . . 0.0 110.51 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.328 -0.857 . . . . 0.0 109.952 -178.61 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.589 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 8.2 mp -52.81 -39.97 62.86 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.119 -1.613 . . . . 0.0 109.025 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.407 HG21 HD13 ' A' ' 12' ' ' ILE . 81.5 mt -66.18 -40.03 85.93 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 120.891 -1.131 . . . . 0.0 112.284 -179.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -81.99 -48.65 11.19 Favored 'General case' 0 N--CA 1.511 2.588 0 O-C-N 119.944 -1.723 . . . . 0.0 113.528 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -38.51 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.415 -1.428 . . . . 0.0 108.089 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.589 ' CG ' ' O ' ' A' ' 11' ' ' LEU . 15.5 m-30 -60.0 -37.67 80.38 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.4 -32.67 74.2 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.639 -1.288 . . . . 0.0 110.177 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -55.4 35.65 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.168 -0.958 . . . . 0.0 112.578 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.52 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 36.9 t-80 -81.87 -32.93 30.82 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.062 -1.024 . . . . 0.0 111.05 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.498 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 71.0 m -59.95 -34.32 73.11 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -177.103 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.45 15.75 14.86 Favored Glycine 0 N--CA 1.514 3.844 0 CA-C-N 120.431 1.468 . . . . 0.0 112.404 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.37 11.53 7.47 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-N 119.099 1.45 . . . . 0.0 109.219 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 18' ' ' HIS . 67.5 tt0 -161.48 27.86 0.13 Allowed 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.31 26.86 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 118.919 -1.61 . . . . 0.0 111.465 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.0 t0 -58.14 144.17 41.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.88 -0.777 . . . . 0.0 109.125 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 63.0 tttp -55.07 -50.02 70.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.913 . . . . 0.0 112.465 -177.092 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -118.66 24.02 11.13 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.619 -1.301 . . . . 0.0 111.485 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 24' ' ' ASP . 2.9 mtpm? -133.81 142.71 47.98 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.876 -1.14 . . . . 0.0 109.681 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.498 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 1.9 tp -92.34 108.62 20.1 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.497 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.5 m -72.71 158.27 35.93 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 119.982 -1.699 . . . . 0.0 108.703 178.237 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' SER . 17.5 tptm -42.52 -33.16 0.64 Allowed 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.163 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -84.14 -25.52 29.59 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.281 -1.512 . . . . 0.0 109.911 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' SER . 51.0 mt-10 -69.99 -40.54 75.27 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.651 -1.281 . . . . 0.0 109.856 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.73 -40.21 91.93 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.923 -1.11 . . . . 0.0 109.267 178.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.8 tttt -64.35 -43.4 94.67 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -176.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.12 -37.69 64.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.987 -1.071 . . . . 0.0 110.839 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 51.4 tp -60.0 -50.0 75.45 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -72.0 -40.04 68.79 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.864 0.84 . . . . 0.0 112.249 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.599 HE22 HE21 ' A' ' 48' ' ' GLN . 5.3 tt0 -70.01 -42.12 73.43 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.783 0.801 . . . . 0.0 112.205 -177.188 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.0 m -60.03 -47.36 86.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.638 -0.664 . . . . 0.0 112.137 -175.415 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 33.7 mm-40 -99.98 -20.04 16.28 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.754 -1.216 . . . . 0.0 112.141 -176.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -128.03 48.76 2.23 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.981 -1.074 . . . . 0.0 109.307 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.533 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 14.5 t -61.16 -40.9 95.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.521 -0.737 . . . . 0.0 110.505 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 m -79.13 -41.23 29.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.237 -0.914 . . . . 0.0 112.249 -177.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.727 ' O ' ' O ' ' A' ' 45' ' ' LEU . 38.6 t80 -82.34 -105.48 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.527 -1.358 . . . . 0.0 110.733 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.727 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -9.49 147.81 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.263 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.301 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 21.0 p-10 -91.31 124.85 35.82 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 124.706 3.412 . . . . 0.0 110.552 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -154.68 -90.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.799 -1.188 . . . . 0.0 110.204 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.599 HE21 HE22 ' A' ' 38' ' ' GLN . 79.1 mm-40 -60.6 -44.41 96.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.348 -0.845 . . . . 0.0 112.035 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.533 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 11.0 mtmm -58.63 -17.58 23.31 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -152.47 90.36 1.49 Allowed 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.28 82.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.278 -0.889 . . . . 0.0 109.372 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.99 -38.9 73.7 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.07 87.93 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.756 -177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -36.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.403 -1.436 . . . . 0.0 108.794 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.13 -39.92 90.25 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.599 -0.688 . . . . 0.0 110.669 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -64.86 -39.89 94.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.174 -0.954 . . . . 0.0 109.962 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 22.7 mt -69.46 -52.79 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.642 -0.661 . . . . 0.0 111.255 -179.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.497 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -61.24 -35.62 77.75 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.418 -0.801 . . . . 0.0 110.213 -179.077 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -59.95 -47.36 86.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -58.49 -22.38 54.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.564 ' C ' ' H ' ' A' ' 63' ' ' GLU . 34.1 mt -94.75 -25.43 16.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.61 -0.681 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.497 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 80.1 m-20 -73.2 47.45 0.21 Allowed 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.564 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.8 mm-40 -60.0 -40.78 90.38 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.423 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -77.65 -21.77 51.68 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.93 38.89 25.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 107.408 -2.277 . . . . 0.0 107.408 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 37.2 p-10 -94.48 -11.13 30.28 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 121.454 -1.027 . . . . 0.0 111.756 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.9 76.61 Favored Glycine 0 N--CA 1.504 3.214 0 O-C-N 120.941 -1.099 . . . . 0.0 110.795 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 36.8 mp0 -140.69 172.88 12.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.469 -1.607 . . . . 0.0 108.581 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.0 t -111.99 129.43 67.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -95.61 150.88 19.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 108.524 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 29.4 t80 -45.15 -32.41 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.134 -0.979 . . . . 0.0 110.432 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.516 ' NE2' HD22 ' B' ' 87' ' ' ASN . 62.1 mt-30 -72.85 -25.62 61.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.648 -1.282 . . . . 0.0 108.704 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASP . 85.0 mt-10 -84.59 -40.0 18.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 121.679 0.752 . . . . 0.0 110.293 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 20.6 t80 -69.07 -46.84 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.602 -0.686 . . . . 0.0 111.188 -177.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.521 ' CG2' ' CE1' ' A' ' 71' ' ' PHE . 54.4 t -60.03 -39.84 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.194 -0.941 . . . . 0.0 109.218 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 54.9 t -58.03 -37.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.863 178.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.443 ' C ' ' CD1' ' A' ' 77' ' ' LEU . 3.4 tm? -69.78 -55.7 9.14 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.205 -0.935 . . . . 0.0 112.994 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 33.3 m -55.88 -34.57 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 O-C-N 120.313 -1.492 . . . . 0.0 109.587 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -68.25 -38.4 81.77 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 178.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.67 -25.05 49.24 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.0 mt -85.99 -41.35 14.94 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.747 -1.846 . . . . 0.0 109.765 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 5.0 t -56.54 -43.08 79.52 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.526 -1.359 . . . . 0.0 109.582 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 16.0 m -60.04 -40.07 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 109.349 177.906 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.06 -26.97 68.01 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.02 -39.91 75.53 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.571 -0.706 . . . . 0.0 109.726 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.12 -40.97 91.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.0 109.061 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.544 HD22 ' NE2' ' B' ' 72' ' ' GLN . 26.6 m120 -61.51 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.399 -0.813 . . . . 0.0 109.5 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -88.18 -0.34 56.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.391 -0.818 . . . . 0.0 109.879 -179.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -84.62 -36.45 21.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.928 -1.108 . . . . 0.0 109.28 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -90.45 -2.19 57.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.399 -0.813 . . . . 0.0 111.207 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.345 -1.472 . . . . 0.0 109.259 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -91.69 65.3 5.04 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.186 -0.946 . . . . 0.0 108.67 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 p . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.709 -179.572 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.443 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.868 0 N-CA-C 119.54 2.576 . . . . 0.0 119.54 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m -89.93 20.95 3.87 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.745 -1.444 . . . . 0.0 109.79 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 33.2 mp0 -59.98 -40.03 87.74 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.067 -1.02 . . . . 0.0 110.202 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -43.82 98.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.313 -1.492 . . . . 0.0 109.174 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -36.88 78.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.087 -1.008 . . . . 0.0 108.768 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.499 ' O ' ' OG1' ' B' ' 10' ' ' THR . 18.9 m -55.75 -50.06 71.43 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.653 0.74 . . . . 0.0 110.426 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.04 72.08 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 112.829 0.678 . . . . 0.0 112.829 -177.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.3 -47.29 61.83 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.641 -1.287 . . . . 0.0 110.086 -178.574 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.0 -25.24 63.51 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.719 -0.613 . . . . 0.0 110.495 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -68.65 -57.76 5.23 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.362 -0.836 . . . . 0.0 109.967 -178.589 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.593 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 8.1 mp -52.83 -40.05 63.0 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.166 -1.584 . . . . 0.0 109.003 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.1 -39.98 85.91 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 120.956 -1.09 . . . . 0.0 112.284 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -82.21 -48.59 11.09 Favored 'General case' 0 N--CA 1.511 2.604 0 O-C-N 119.987 -1.696 . . . . 0.0 113.54 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.02 -38.4 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.475 -1.391 . . . . 0.0 108.04 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.593 ' CG ' ' O ' ' B' ' 11' ' ' LEU . 15.5 m-30 -59.98 -37.52 79.87 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.62 -32.72 74.22 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.712 -1.243 . . . . 0.0 110.186 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -55.3 36.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.063 -1.023 . . . . 0.0 112.599 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' B' ' 22' ' ' GLU . 36.3 t-80 -81.72 -33.03 31.32 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.038 -1.039 . . . . 0.0 111.139 -178.584 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 67.2 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.73 15.93 14.07 Favored Glycine 0 N--CA 1.514 3.851 0 O-C-N 120.364 -1.46 . . . . 0.0 112.393 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.16 11.11 7.56 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 119.053 1.427 . . . . 0.0 109.245 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' B' ' 18' ' ' HIS . 67.2 tt0 -161.21 27.9 0.14 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.15 26.57 Favored Glycine 0 N--CA 1.482 1.748 0 C-N-CA 118.879 -1.629 . . . . 0.0 111.451 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.546 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 52.8 t0 -58.16 144.21 41.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.895 -0.768 . . . . 0.0 109.198 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 63.5 tttp -55.19 -49.92 70.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 0.0 112.516 -177.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -118.5 23.79 11.3 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 120.539 -1.351 . . . . 0.0 111.516 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.546 ' NZ ' ' OD2' ' B' ' 24' ' ' ASP . 2.9 mtpm? -133.71 142.55 48.04 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.871 -1.143 . . . . 0.0 109.678 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.497 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 1.9 tp -91.9 108.75 20.15 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 32' ' ' GLU . 13.9 m -72.88 158.36 35.67 Favored 'General case' 0 C--N 1.29 -1.988 0 O-C-N 119.934 -1.729 . . . . 0.0 108.671 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' B' ' 29' ' ' SER . 17.3 tptm -42.42 -33.21 0.63 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.438 -0.789 . . . . 0.0 110.137 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -84.18 -25.63 29.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.357 -1.464 . . . . 0.0 109.982 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' SER . 51.1 mt-10 -69.99 -40.41 75.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.717 -1.24 . . . . 0.0 109.811 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.404 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 3.6 pp -65.44 -40.34 93.15 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.834 -1.166 . . . . 0.0 109.283 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.404 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 74.4 tttt -64.41 -43.38 94.57 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -176.507 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -73.91 -37.97 64.48 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.154 -0.966 . . . . 0.0 110.782 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 49.8 tp -59.9 -50.02 75.4 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.331 -0.856 . . . . 0.0 109.475 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.03 -40.03 68.71 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.923 0.868 . . . . 0.0 112.211 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.63 HE22 HE21 ' B' ' 48' ' ' GLN . 5.2 tt0 -70.07 -42.04 73.33 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.76 0.791 . . . . 0.0 112.26 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.99 -47.48 85.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.679 -0.638 . . . . 0.0 112.128 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 33.7 mm-40 -99.85 -19.98 16.4 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.785 -1.197 . . . . 0.0 112.074 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -128.15 48.69 2.25 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.979 -1.076 . . . . 0.0 109.321 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 15.1 t -61.06 -41.03 95.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.6 -0.687 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -79.0 -40.83 30.47 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.213 -0.929 . . . . 0.0 112.266 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' B' ' 45' ' ' LEU . 38.3 t80 -83.55 -92.41 0.07 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.557 -1.339 . . . . 0.0 112.134 -178.091 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.528 ' O ' ' O ' ' B' ' 44' ' ' PHE . 0.1 OUTLIER -32.47 153.71 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -174.856 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 20.6 p-10 -90.52 123.88 34.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.502 -2.624 . . . . 0.0 110.241 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -154.68 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.969 -1.082 . . . . 0.0 109.984 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.63 HE21 HE22 ' B' ' 38' ' ' GLN . 79.5 mm-40 -60.61 -44.6 96.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 112.021 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 10.3 mtmm -58.72 -17.66 24.76 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.2 90.47 1.52 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.43 82.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.864 . . . . 0.0 109.299 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.89 -38.63 73.06 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.06 91.32 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.506 -177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -36.57 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.456 -1.403 . . . . 0.0 108.769 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.16 -40.03 90.24 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.497 -0.752 . . . . 0.0 110.711 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.159 -0.963 . . . . 0.0 109.881 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 23.6 mt -69.35 -52.68 30.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.662 -0.649 . . . . 0.0 111.386 -179.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.494 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -61.33 -35.68 78.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.371 -0.831 . . . . 0.0 110.225 -179.088 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -59.97 -47.5 85.54 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -58.71 -20.73 51.41 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.581 ' C ' ' H ' ' B' ' 63' ' ' GLU . 34.4 mt -96.17 -25.7 15.74 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.619 -0.675 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.494 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 80.9 m-20 -73.18 47.41 0.2 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.581 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.8 mm-40 -59.99 -40.62 89.76 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.463 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -77.76 -21.64 51.46 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.95 38.71 26.08 Favored Glycine 0 N--CA 1.484 1.862 0 N-CA-C 107.426 -2.27 . . . . 0.0 107.426 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.444 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 36.8 p-10 -94.39 -11.32 30.13 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 121.449 -1.03 . . . . 0.0 111.819 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.86 1.78 76.21 Favored Glycine 0 N--CA 1.503 3.116 0 O-C-N 120.862 -1.149 . . . . 0.0 110.774 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 37.1 mp0 -140.65 173.01 11.91 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.344 -1.68 . . . . 0.0 108.451 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 11.0 t -112.02 129.56 67.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 73' ' ' GLU . 95.8 m-20 -95.76 151.03 19.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.153 -0.967 . . . . 0.0 108.433 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 28.9 t80 -45.27 -32.34 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.132 -0.98 . . . . 0.0 110.517 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.544 ' NE2' HD22 ' A' ' 87' ' ' ASN . 61.5 mt-30 -72.93 -25.4 61.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.641 -1.287 . . . . 0.0 108.723 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.8 mt-10 -84.72 -40.01 17.83 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.658 0.742 . . . . 0.0 110.248 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -69.09 -46.89 66.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.709 -0.619 . . . . 0.0 111.203 -177.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.519 ' CG2' ' CE1' ' B' ' 71' ' ' PHE . 54.6 t -59.92 -39.87 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.259 -0.9 . . . . 0.0 109.262 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -58.0 -37.29 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.855 179.016 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.428 ' C ' ' CD1' ' B' ' 77' ' ' LEU . 3.4 tm? -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.219 -0.925 . . . . 0.0 113.004 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 33.9 m -55.77 -34.69 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 120.331 -1.481 . . . . 0.0 109.528 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -67.97 -38.71 83.06 Favored 'General case' 0 C--N 1.29 -1.999 0 O-C-N 121.592 -0.692 . . . . 0.0 109.372 178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . 0.41 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.51 -24.93 49.92 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.2 mt -85.97 -41.48 14.85 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.772 -1.83 . . . . 0.0 109.823 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.1 t -56.36 -43.19 78.91 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.541 178.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.41 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 16.0 m -60.01 -40.09 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.043 -1.036 . . . . 0.0 109.373 178.042 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.95 -26.96 67.89 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.05 -39.82 75.49 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.553 -0.717 . . . . 0.0 109.639 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.03 -41.1 91.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 109.076 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.516 HD22 ' NE2' ' A' ' 72' ' ' GLN . 26.8 m120 -61.36 -40.02 92.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 109.558 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -88.12 -0.34 56.95 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.349 -0.845 . . . . 0.0 109.893 -179.045 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -84.61 -36.51 21.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.983 -1.073 . . . . 0.0 109.345 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -90.45 -2.17 57.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.398 -0.814 . . . . 0.0 111.273 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.94 -40.05 87.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.464 -1.397 . . . . 0.0 109.319 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -91.83 65.29 4.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 0.0 108.689 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 59.2 p . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 117.923 -1.037 . . . . 0.0 109.667 -179.715 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.503 2.18 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -130.05 19.63 5.44 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.711 ' O ' HG22 ' X' ' 10' ' ' ILE . 43.8 t90 -60.0 -48.78 80.3 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.239 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.588 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 1.3 t-20 -50.14 -31.52 13.7 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 119.716 -1.865 . . . . 0.0 109.035 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.9 -27.19 68.63 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.711 HG22 ' O ' ' X' ' 7' ' ' TRP . 6.0 tt -48.55 -40.01 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 44.9 tp -69.97 -40.01 75.62 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.952 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.177 -0.952 . . . . 0.0 109.492 -179.739 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 26.6 pt . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 121.904 0.859 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -111.29 21.01 16.76 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.405 -0.809 . . . . 0.0 109.158 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.73 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.7 t90 -59.96 -50.01 75.42 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.844 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.55 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 2.9 p-10 -50.27 -33.35 19.5 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 119.716 -1.865 . . . . 0.0 109.064 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -59.19 -24.88 63.49 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.73 HG22 ' O ' ' Y' ' 7' ' ' TRP . 4.1 tt -53.41 -35.21 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.32 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.45 HD12 ' OE2' ' B' ' 60' ' ' GLU . 0.1 OUTLIER -65.43 -40.1 92.91 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.228 179.705 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.989 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -76.83 159.28 30.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -1.134 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -47.19 -49.77 22.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.14 -0.975 . . . . 0.0 110.583 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.66 -45.21 72.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.917 -1.114 . . . . 0.0 110.347 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.95 -39.64 86.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.006 -1.059 . . . . 0.0 108.866 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 58.1 m -48.95 -50.37 35.86 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.884 0.85 . . . . 0.0 110.069 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.76 -27.7 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.63 -49.55 52.76 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.348 -1.47 . . . . 0.0 110.255 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -68.44 -29.02 67.58 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.775 -0.578 . . . . 0.0 110.71 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -63.25 -57.24 11.11 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.878 -1.139 . . . . 0.0 110.22 -178.852 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.1 mp -55.67 -40.11 71.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.251 -1.531 . . . . 0.0 110.254 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.22 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 O-C-N 120.932 -1.105 . . . . 0.0 112.263 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -80.62 -41.77 23.32 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 119.895 -1.753 . . . . 0.0 112.139 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.9 p -60.23 -41.75 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.574 -1.329 . . . . 0.0 108.65 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' N ' HG13 ' A' ' 14' ' ' VAL . 4.1 t80 -60.0 -39.35 85.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.917 -1.114 . . . . 0.0 109.872 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.26 27.72 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.302 -0.874 . . . . 0.0 112.905 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -78.88 -42.17 27.94 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.692 -1.255 . . . . 0.0 111.654 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.53 7.73 59.82 Favored Glycine 0 N--CA 1.501 2.967 0 O-C-N 120.521 -1.362 . . . . 0.0 112.595 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.41 -59.28 1.84 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.262 1.531 . . . . 0.0 109.702 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.22 16.98 7.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 111.118 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -164.7 -161.54 13.9 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 118.222 -1.942 . . . . 0.0 112.429 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.6 m-20 -59.89 143.57 51.06 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -51.89 -51.2 58.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.635 -0.665 . . . . 0.0 111.113 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.562 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 54.0 t80 -113.19 17.71 18.47 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.624 -1.298 . . . . 0.0 111.845 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -137.68 146.44 43.83 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.437 -1.415 . . . . 0.0 109.928 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.5 tp -92.81 165.98 12.65 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.052 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.538 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 58.0 m -131.75 164.34 26.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.226 -0.921 . . . . 0.0 109.664 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.27 -39.98 23.34 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.039 -1.038 . . . . 0.0 111.124 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.64 -31.25 36.52 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 119.912 -1.742 . . . . 0.0 110.563 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.538 ' HB2' ' H ' ' A' ' 29' ' ' SER . 71.7 mt-10 -70.07 -38.38 75.72 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.396 -1.44 . . . . 0.0 110.855 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.6 pp -63.04 -45.18 93.48 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.452 -1.405 . . . . 0.0 109.813 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' N ' HD12 ' A' ' 33' ' ' LEU . 60.1 tttm -59.93 -38.95 83.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.13 -0.981 . . . . 0.0 111.24 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.405 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 87.7 m-20 -71.77 -42.84 66.69 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.291 -0.881 . . . . 0.0 111.635 -177.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.96 -49.91 72.87 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.56 0.695 . . . . 0.0 110.757 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.715 HD12 HD22 ' A' ' 45' ' ' LEU . 4.2 mm? -70.51 -42.53 71.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.507 -0.745 . . . . 0.0 112.375 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.485 ' CG ' ' N ' ' A' ' 39' ' ' THR . 15.1 pt20 -69.67 -41.68 75.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.938 -1.101 . . . . 0.0 112.708 -176.351 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -50.95 -48.76 60.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.48 -0.762 . . . . 0.0 111.244 -175.446 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.99 -22.73 15.14 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.248 -0.907 . . . . 0.0 111.269 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD13 HD13 ' A' ' 45' ' ' LEU . 89.8 mt -120.0 31.15 6.65 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -49.94 -61.61 2.04 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.507 0.67 . . . . 0.0 109.623 179.273 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.7 p -69.9 -21.19 63.33 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.655 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -87.91 -103.87 0.08 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.202 -1.561 . . . . 0.0 110.151 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 HD12 ' A' ' 37' ' ' LEU . 2.1 mp -15.42 153.52 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.592 175.462 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.588 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 0.5 OUTLIER -93.43 99.66 12.11 Favored 'General case' 0 N--CA 1.516 2.832 0 CA-C-N 123.937 3.062 . . . . 0.0 109.268 173.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 48' ' ' GLN . 45.9 t -128.39 -79.69 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.702 0 O-C-N 120.677 -1.264 . . . . 0.0 108.888 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.424 ' N ' HG12 ' A' ' 47' ' ' VAL . 38.4 mt-30 -61.81 -39.89 93.32 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.693 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' CE ' ' O ' ' A' ' 42' ' ' SER . 2.3 mmtt -65.91 -18.27 65.22 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -146.53 88.65 1.79 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.17 64.54 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -60.2 -39.82 87.92 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.94 81.07 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.23 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -39.83 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.585 -1.322 . . . . 0.0 108.605 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -63.17 -40.08 96.5 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.737 -0.602 . . . . 0.0 111.073 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.21 -39.94 94.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 108.553 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.455 HD12 HD21 ' A' ' 77' ' ' LEU . 17.8 mm -63.54 -46.5 94.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.638 -0.664 . . . . 0.0 110.512 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.4 mmm -59.48 -39.73 84.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.949 -1.094 . . . . 0.0 109.252 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -46.78 88.4 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.29 -31.74 72.97 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.515 -0.74 . . . . 0.0 109.182 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 63' ' ' GLU . 40.2 mt -93.59 -17.15 23.63 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.325 -0.859 . . . . 0.0 110.665 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' MET . 96.0 m-20 -77.49 42.92 0.37 Allowed 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.6 mt-10 -60.03 -41.05 91.37 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.938 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -74.78 -18.98 60.39 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.62 33.61 63.54 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 107.814 -2.114 . . . . 0.0 107.814 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -93.47 -8.3 41.96 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.514 -0.992 . . . . 0.0 112.101 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 11.34 80.85 Favored Glycine 0 N--CA 1.503 3.149 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -133.13 173.28 11.6 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 5.6 t -128.53 126.99 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.738 -1.227 . . . . 0.0 108.777 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -93.14 155.04 17.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 108.928 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.88 -21.88 4.81 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.437 -0.79 . . . . 0.0 109.672 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.1 tm0? -78.29 -23.78 47.01 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.163 0.982 . . . . 0.0 108.417 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -85.36 -49.18 8.34 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.861 0.838 . . . . 0.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.527 ' CE1' HD21 ' A' ' 37' ' ' LEU . 10.2 t80 -60.12 -49.68 76.67 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.218 0.532 . . . . 0.0 111.177 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -38.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.178 -0.951 . . . . 0.0 109.573 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.5 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.962 -1.086 . . . . 0.0 109.166 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.455 HD21 HD12 ' A' ' 57' ' ' ILE . 1.5 tm? -63.84 -56.38 15.82 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.642 -0.661 . . . . 0.0 112.694 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.498 ' O ' HG22 ' A' ' 82' ' ' THR . 27.7 m -59.91 -36.57 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.662 -1.274 . . . . 0.0 109.928 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.416 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -64.07 -41.35 97.37 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 121.555 0.693 . . . . 0.0 111.305 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.31 -24.01 46.85 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.988 HD12 ' N ' ' A' ' 82' ' ' THR . 3.9 pp -81.6 -45.26 16.08 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 119.459 -2.026 . . . . 0.0 109.659 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.988 ' N ' HD12 ' A' ' 81' ' ' LEU . 1.8 t -52.89 -45.6 67.59 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.134 -0.979 . . . . 0.0 110.181 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 12.2 m -56.65 -40.83 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.945 -1.097 . . . . 0.0 109.055 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.07 -26.58 68.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.476 -0.765 . . . . 0.0 109.034 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.61 -42.54 70.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.16 -0.962 . . . . 0.0 110.035 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.76 -41.95 98.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 0.0 110.316 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -66.94 -39.83 87.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.269 -0.894 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -80.45 -11.04 59.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -78.87 -30.29 44.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.197 -0.939 . . . . 0.0 109.02 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.484 -0.76 . . . . 0.0 110.246 -179.154 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -46.96 -49.99 19.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.067 -1.021 . . . . 0.0 110.562 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.49 -44.99 73.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.907 -1.121 . . . . 0.0 110.401 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.62 -39.11 87.01 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.014 -1.054 . . . . 0.0 108.833 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.458 ' O ' ' OG1' ' B' ' 10' ' ' THR . 61.7 m -49.29 -50.34 39.68 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.903 0.859 . . . . 0.0 110.045 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.78 -27.35 65.81 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.79 -49.36 53.6 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.449 -1.407 . . . . 0.0 110.214 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.69 -29.08 67.45 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.712 -0.617 . . . . 0.0 110.667 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.1 OUTLIER -63.07 -57.3 11.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.134 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' HD12 ' B' ' 11' ' ' LEU . 10.1 mp -55.65 -39.91 71.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.233 -1.542 . . . . 0.0 110.192 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.47 -39.96 87.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.49 -42.17 23.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 119.959 -1.713 . . . . 0.0 112.128 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.472 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.9 p -60.01 -41.61 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.591 -1.318 . . . . 0.0 108.578 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.472 ' N ' HG13 ' B' ' 14' ' ' VAL . 5.0 t80 -59.93 -39.68 86.29 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -59.96 -40.09 87.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.975 -1.078 . . . . 0.0 109.834 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.2 -55.51 23.76 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.301 -0.874 . . . . 0.0 112.973 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -78.84 -42.63 27.07 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.828 -1.17 . . . . 0.0 111.724 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 24' ' ' ASP . 4.3 t -63.72 -31.7 72.96 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -178.198 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.52 7.64 59.79 Favored Glycine 0 N--CA 1.502 3.071 0 O-C-N 120.486 -1.384 . . . . 0.0 112.695 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.48 -58.98 1.87 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.335 1.568 . . . . 0.0 109.71 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.46 17.06 7.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.07 -1.019 . . . . 0.0 111.235 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.511 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -164.66 -161.52 13.83 Favored Glycine 0 N--CA 1.493 2.434 0 C-N-CA 118.299 -1.905 . . . . 0.0 112.352 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.5 m-20 -60.02 143.65 51.36 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.686 0.755 . . . . 0.0 110.227 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -51.89 -51.26 58.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.658 -0.651 . . . . 0.0 111.2 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -113.05 17.51 18.75 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.633 -1.292 . . . . 0.0 111.817 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -137.73 146.34 43.58 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.393 -1.442 . . . . 0.0 110.001 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' B' ' 15' ' ' PHE . 7.5 tp -92.61 166.24 12.59 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.074 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.545 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 63.1 m -132.07 164.57 25.95 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.244 -0.91 . . . . 0.0 109.698 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.38 -39.96 24.05 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.111 -0.993 . . . . 0.0 111.221 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -80.82 -31.26 35.66 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 119.875 -1.766 . . . . 0.0 110.517 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.545 ' HB2' ' H ' ' B' ' 29' ' ' SER . 71.6 mt-10 -70.01 -38.67 75.99 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.348 -1.47 . . . . 0.0 110.757 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.513 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.5 pp -62.57 -45.27 93.68 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.469 -1.394 . . . . 0.0 109.675 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.513 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.6 tttm -60.37 -38.56 84.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 111.231 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.403 ' HA ' ' NE2' ' B' ' 38' ' ' GLN . 87.7 m-20 -72.01 -42.51 66.31 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.313 -0.867 . . . . 0.0 111.444 -177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.13 -49.97 72.31 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.616 0.722 . . . . 0.0 110.583 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.689 HD12 HD22 ' B' ' 45' ' ' LEU . 4.3 mm? -70.47 -42.86 70.88 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.519 -0.738 . . . . 0.0 112.365 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' B' ' 39' ' ' THR . 14.7 pt20 -69.33 -41.49 76.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.985 -1.072 . . . . 0.0 112.782 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -51.22 -48.69 62.0 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.436 -0.79 . . . . 0.0 111.277 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.97 -22.59 15.21 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.196 -0.94 . . . . 0.0 111.257 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.407 HD13 HD13 ' B' ' 45' ' ' LEU . 90.5 mt -120.08 31.1 6.66 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.475 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -50.03 -61.27 2.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.522 0.677 . . . . 0.0 109.563 179.399 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -70.32 -20.23 63.02 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' B' ' 44' ' ' PHE . 1.8 t80 -89.71 -89.7 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.254 -1.529 . . . . 0.0 111.95 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.697 HD11 HD22 ' B' ' 81' ' ' LEU . 1.4 mp -39.68 160.04 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' Y' ' 7' ' ' TRP . 0.5 OUTLIER -92.63 98.87 11.7 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 121.944 2.157 . . . . 0.0 109.094 177.286 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.45 -79.11 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 O-C-N 121.061 -1.024 . . . . 0.0 108.863 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.21 -39.95 94.47 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.7 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' O ' ' B' ' 42' ' ' SER . 2.1 mmtt -65.75 -18.39 65.3 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -146.44 88.59 1.79 Allowed 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -32.02 64.57 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.26 -39.78 87.98 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -41.02 81.79 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.926 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -39.53 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.476 -1.39 . . . . 0.0 108.889 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -63.14 -39.88 95.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.721 -0.612 . . . . 0.0 111.041 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.26 -40.14 95.2 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.887 -1.133 . . . . 0.0 108.628 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.476 HD12 HD21 ' B' ' 77' ' ' LEU . 19.9 mm -63.57 -46.05 96.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.576 -0.703 . . . . 0.0 110.487 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.579 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.3 mmm -59.72 -39.79 85.85 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.966 -1.084 . . . . 0.0 109.298 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -46.66 88.81 Favored 'General case' 0 C--N 1.279 -2.48 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.45 ' OE2' HD12 ' Y' ' 11' ' ' LEU . 89.3 tt0 -64.34 -29.5 70.57 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.64 -0.662 . . . . 0.0 109.496 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' B' ' 63' ' ' GLU . 38.5 mt -95.11 -17.43 21.83 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 58' ' ' MET . 95.9 m-20 -77.28 42.73 0.35 Allowed 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.11 -40.78 90.89 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.369 -0.932 . . . . 0.0 108.987 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -75.24 -18.96 59.99 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.42 63.1 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 107.686 -2.165 . . . . 0.0 107.686 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -93.25 -8.52 42.01 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.637 -0.92 . . . . 0.0 112.012 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.04 11.33 81.5 Favored Glycine 0 N--CA 1.501 2.971 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -133.22 173.6 11.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.452 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 5.1 t -128.57 127.12 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.737 -1.227 . . . . 0.0 108.806 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -93.61 154.67 17.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.307 -0.871 . . . . 0.0 108.967 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -52.51 -22.12 4.52 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.544 -0.723 . . . . 0.0 109.617 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.54 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.1 tm0? -78.17 -23.71 47.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.154 0.978 . . . . 0.0 108.513 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -85.59 -49.01 8.36 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.833 0.825 . . . . 0.0 109.228 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' B' ' 37' ' ' LEU . 11.1 t80 -60.16 -49.64 76.84 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.256 0.551 . . . . 0.0 111.065 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.408 HG12 ' HB1' ' A' ' 79' ' ' ALA . 52.2 t -60.04 -38.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.5 t -60.25 -39.87 82.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.117 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.476 HD21 HD12 ' B' ' 57' ' ' ILE . 1.5 tm? -63.62 -56.4 16.1 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 121.571 -0.705 . . . . 0.0 112.747 -177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.493 ' O ' HG22 ' B' ' 82' ' ' THR . 35.5 m -60.04 -36.02 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.643 -1.285 . . . . 0.0 109.878 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.408 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -64.53 -41.54 96.3 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-O 121.527 0.68 . . . . 0.0 111.293 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.455 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.27 -23.77 47.11 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.995 HD12 ' N ' ' B' ' 82' ' ' THR . 4.1 pp -82.14 -44.23 16.73 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 119.417 -2.052 . . . . 0.0 109.721 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.995 ' N ' HD12 ' B' ' 81' ' ' LEU . 1.9 t -54.03 -45.09 71.5 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.018 -1.051 . . . . 0.0 110.007 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 13.6 m -57.01 -40.57 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.029 -1.044 . . . . 0.0 109.125 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.432 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.27 -26.72 68.62 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.57 -42.65 70.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.173 -0.954 . . . . 0.0 110.084 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.52 -42.18 98.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.264 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.68 -40.04 88.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.239 -0.913 . . . . 0.0 110.718 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.31 -10.97 59.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.751 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -79.08 -29.97 43.68 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.188 -0.945 . . . . 0.0 108.899 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.751 . . . . 0.0 110.182 -179.209 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' X' ' 7' ' ' TRP . 10.7 pt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' X' X ' 6' ' ' ASP . . . . . 0.443 ' OD1' ' OD2' ' A' ' 50' ' ' ASP . 32.6 m-20 43.44 19.71 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.196 -0.94 . . . . 0.0 110.327 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.68 ' CZ3' HD22 ' A' ' 81' ' ' LEU . 39.4 t90 -60.17 -49.97 75.51 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.156 0.979 . . . . 0.0 110.079 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.795 ' ND2' HD11 ' A' ' 81' ' ' LEU . 12.6 t-20 -54.24 -30.17 49.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.595 -1.315 . . . . 0.0 108.959 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.626 ' NZ ' ' NZ ' ' A' ' 56' ' ' LYS . 10.1 ttmm -59.93 -25.08 64.87 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.662 HG22 ' O ' ' X' ' 7' ' ' TRP . 5.5 tt -54.94 -39.37 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.423 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 55.6 tp -66.18 -41.45 90.27 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.296 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.4 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 12.2 t . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.407 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.508 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.2 pt . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.18 18.35 21.8 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.225 -0.922 . . . . 0.0 108.69 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.671 ' O ' HG22 ' Y' ' 10' ' ' ILE . 41.0 t90 -60.02 -50.07 75.18 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.598 -0.689 . . . . 0.0 111.838 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.679 ' ND2' HD21 ' B' ' 81' ' ' LEU . 0.3 OUTLIER -54.53 -33.14 59.48 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 119.597 -1.94 . . . . 0.0 109.158 -178.814 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.97 -24.29 64.3 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.671 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -51.3 -37.33 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.412 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 58.3 tp -64.16 -40.17 95.57 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.378 179.594 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.571 2.588 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -76.72 156.6 32.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.209 -1.171 . . . . 0.0 109.42 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -42.37 -57.4 2.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.21 -41.06 90.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.03 -1.044 . . . . 0.0 110.004 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.47 -32.84 74.41 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.037 -1.039 . . . . 0.0 109.634 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.4 m -59.15 -47.99 83.25 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.927 0.87 . . . . 0.0 109.339 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.2 68.3 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.52 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 ttt -70.63 -48.43 55.08 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.452 -1.405 . . . . 0.0 110.44 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.96 -25.84 63.82 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.705 -0.622 . . . . 0.0 110.359 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -66.94 -57.95 5.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.953 -1.092 . . . . 0.0 109.765 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.9 mp -54.2 -39.98 67.18 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.222 -1.549 . . . . 0.0 110.294 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.84 -40.02 82.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.038 -1.039 . . . . 0.0 112.63 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -80.66 -42.65 21.7 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 119.891 -1.755 . . . . 0.0 112.304 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.7 p -59.9 -40.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.701 -1.249 . . . . 0.0 108.4 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 28' ' ' LEU . 9.1 t80 -60.48 -39.62 88.33 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.897 -1.127 . . . . 0.0 110.599 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.34 23.03 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -78.66 -45.15 22.08 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.973 -1.08 . . . . 0.0 110.694 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 61.3 p -60.04 -26.58 66.23 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.741 -0.599 . . . . 0.0 112.515 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 3.96 57.39 Favored Glycine 0 N--CA 1.5 2.942 0 O-C-N 120.793 -1.192 . . . . 0.0 111.346 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 23' ' ' GLY . 67.2 mttm -124.22 -65.15 1.07 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.311 -1.111 . . . . 0.0 108.945 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.9 20.7 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.186 -0.946 . . . . 0.0 109.891 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 175.08 -174.29 46.68 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 118.721 -1.705 . . . . 0.0 112.317 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 36.8 t0 -39.29 152.34 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.556 0.693 . . . . 0.0 110.153 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 3.5 mptp? -52.08 -40.01 60.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.548 -0.72 . . . . 0.0 112.363 -176.608 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -135.89 35.99 2.85 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.309 -1.495 . . . . 0.0 112.348 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -140.37 147.02 39.16 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.653 -1.279 . . . . 0.0 109.493 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -94.28 162.38 13.87 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.067 0.937 . . . . 0.0 108.503 -179.71 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.575 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.7 t -130.66 161.04 32.51 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' SER . 55.7 tttt -47.08 -34.09 5.57 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 117.668 -1.613 . . . . 0.0 111.48 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -81.02 -30.05 35.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.195 -1.566 . . . . 0.0 110.545 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.575 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.7 mt-10 -73.59 -39.95 64.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.405 -1.434 . . . . 0.0 110.719 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.6 pp -59.94 -44.87 94.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.493 -1.38 . . . . 0.0 108.747 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.601 ' N ' HD12 ' A' ' 33' ' ' LEU . 83.6 tttt -63.6 -39.96 95.7 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.79 -0.569 . . . . 0.0 111.961 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 95.9 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.743 -1.223 . . . . 0.0 110.859 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.538 HD23 ' CE1' ' A' ' 74' ' ' PHE . 52.3 tp -63.49 -41.86 98.56 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.499 0.666 . . . . 0.0 110.842 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.42 HD21 ' CE1' ' A' ' 74' ' ' PHE . 89.5 mt -79.07 -46.85 17.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' THR . 16.8 pt20 -65.26 -39.9 93.23 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.915 0.865 . . . . 0.0 112.981 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.5 m -52.65 -45.25 66.64 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.836 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -101.61 -16.88 16.59 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.082 -1.011 . . . . 0.0 111.778 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 45' ' ' LEU . 43.2 mt -132.9 50.0 2.27 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.88 -1.138 . . . . 0.0 109.286 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 25.8 p -63.0 -49.83 73.14 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 110.699 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -68.39 -39.95 81.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.155 -0.965 . . . . 0.0 111.688 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.588 ' O ' ' C ' ' A' ' 45' ' ' LEU . 13.9 t80 -83.83 -106.18 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.588 ' C ' ' O ' ' A' ' 44' ' ' PHE . 3.8 mp -9.69 127.65 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.237 0 CA-C-O 114.906 -2.473 . . . . 0.0 109.774 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -91.13 117.1 29.34 Favored 'General case' 0 N--CA 1.525 3.3 1 CA-C-N 127.9 4.864 . . . . 0.0 110.067 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 48' ' ' GLN . 21.3 m -148.76 -40.19 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.77 -1.206 . . . . 0.0 110.129 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.478 ' N ' HG23 ' A' ' 47' ' ' VAL . 17.4 pt20 -94.43 -40.37 9.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.044 -1.035 . . . . 0.0 111.806 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.1 -52.38 65.57 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 178.362 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.443 ' OD2' ' OD1' ' X' ' 6' ' ' ASP . 81.5 m-20 -104.37 95.06 5.68 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.6 72.09 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 50.8 t0 -59.91 -38.35 82.05 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.02 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.4 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.563 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -34.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.594 -1.316 . . . . 0.0 108.616 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 61.3 t0 -65.68 -40.01 91.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.977 -1.077 . . . . 0.0 110.496 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.626 ' NZ ' ' NZ ' ' X' ' 9' ' ' LYS . 4.8 mmmm -69.47 -42.96 74.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.202 -0.936 . . . . 0.0 110.557 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.42 HG12 ' ND2' ' X' ' 8' ' ' ASN . 1.3 mp -66.16 -55.76 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.9 ttt -59.9 -32.42 70.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.67 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -49.78 76.32 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.301 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -24.91 63.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.754 HD11 ' O ' ' A' ' 73' ' ' GLU . 5.5 tp -81.33 -15.82 54.22 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 55.3 t0 -90.75 65.08 5.77 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.44 -35.59 81.37 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.794 -0.566 . . . . 0.0 110.107 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.537 HD21 ' CG ' ' A' ' 66' ' ' ASP . 25.7 p-10 -71.54 -12.88 61.6 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.51 68.33 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.537 ' CG ' HD21 ' A' ' 64' ' ' ASN . 32.5 p-10 -93.71 -117.36 0.09 Allowed 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.535 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -158.76 26.8 0.39 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -133.14 173.93 10.91 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.16 129.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 120.593 -1.317 . . . . 0.0 109.011 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -96.03 149.86 21.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.82 -1.175 . . . . 0.0 108.289 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -45.32 -31.94 1.81 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.097 -1.002 . . . . 0.0 110.012 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 76.3 mt-30 -69.97 -33.15 71.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.603 -1.311 . . . . 0.0 108.328 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.754 ' O ' HD11 ' A' ' 61' ' ' LEU . 51.9 mt-10 -78.63 -49.36 13.35 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.823 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE1' HD23 ' A' ' 36' ' ' LEU . 68.5 t80 -60.03 -48.78 80.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.49 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.9 -34.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.096 -1.002 . . . . 0.0 110.406 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.6 t -59.91 -40.44 82.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.809 -1.182 . . . . 0.0 110.198 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.747 ' C ' HD13 ' A' ' 77' ' ' LEU . 1.8 tm? -64.41 -48.82 73.94 Favored 'General case' 0 N--CA 1.51 2.553 0 O-C-N 120.906 -1.121 . . . . 0.0 111.922 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.482 ' N ' HD13 ' A' ' 77' ' ' LEU . 1.5 t -59.92 -40.06 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.781 -1.199 . . . . 0.0 109.739 -178.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.98 97.02 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 121.632 0.73 . . . . 0.0 111.738 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.6 -23.28 49.91 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.795 HD11 ' ND2' ' X' ' 8' ' ' ASN . 12.1 mt -80.84 -41.39 23.28 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.439 -2.038 . . . . 0.0 109.707 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -55.45 -45.1 76.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.238 -0.914 . . . . 0.0 109.983 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 84' ' ' ALA . 11.6 m -60.03 -40.76 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.136 -0.978 . . . . 0.0 109.964 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -61.52 -26.3 67.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.483 -0.761 . . . . 0.0 109.136 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -72.49 -47.06 51.69 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.574 -0.704 . . . . 0.0 110.765 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -63.22 -42.54 99.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.99 -1.069 . . . . 0.0 110.613 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -61.63 -40.02 93.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.286 -0.884 . . . . 0.0 110.987 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 64.9 t80 -88.78 -9.92 50.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.044 . . . . 0.0 110.112 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -73.43 -37.27 65.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 0.0 108.887 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.5 m95 . . . . . 0 N--CA 1.487 1.393 0 O-C-N 121.419 -0.801 . . . . 0.0 110.518 -179.248 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 31.9 t . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 79.0 mm-40 -42.03 -57.35 2.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.371 -0.831 . . . . 0.0 110.871 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.53 -40.88 89.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.952 -1.093 . . . . 0.0 110.004 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.77 -32.54 74.07 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.06 -1.025 . . . . 0.0 109.57 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.451 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -59.39 -47.82 83.99 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.972 0.891 . . . . 0.0 109.279 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.97 -27.75 67.7 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.59 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ttt -70.74 -48.28 55.32 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.528 -1.357 . . . . 0.0 110.34 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.0 -25.87 63.8 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.604 -0.685 . . . . 0.0 110.412 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -66.94 -57.88 6.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.965 -1.085 . . . . 0.0 109.803 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.433 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.9 mp -54.26 -40.12 67.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.123 -1.61 . . . . 0.0 110.243 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.7 mt -67.73 -39.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -80.68 -42.59 21.77 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 119.94 -1.725 . . . . 0.0 112.263 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.487 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.2 p -60.02 -40.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.726 -1.234 . . . . 0.0 108.286 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.668 ' CE2' HD13 ' B' ' 28' ' ' LEU . 10.1 t80 -60.3 -39.67 87.76 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.758 -1.214 . . . . 0.0 110.462 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -56.28 23.78 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -78.73 -45.09 21.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.994 -1.066 . . . . 0.0 110.698 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.481 ' O ' ' O ' ' B' ' 24' ' ' ASP . 59.8 p -59.92 -27.13 66.5 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.792 -0.568 . . . . 0.0 112.47 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.78 4.26 57.73 Favored Glycine 0 N--CA 1.501 2.971 0 O-C-N 120.803 -1.186 . . . . 0.0 111.386 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' B' ' 23' ' ' GLY . 68.6 mttm -124.05 -65.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.273 -1.134 . . . . 0.0 108.818 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.94 20.72 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.123 -0.986 . . . . 0.0 110.044 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 175.36 -174.05 46.59 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 118.652 -1.737 . . . . 0.0 112.319 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 37.2 t0 -39.57 152.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.522 0.677 . . . . 0.0 110.225 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 3.5 mptp? -51.93 -40.09 60.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.533 -0.73 . . . . 0.0 112.354 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -135.71 35.65 2.9 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.356 -1.465 . . . . 0.0 112.372 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -140.2 146.7 39.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.651 -1.281 . . . . 0.0 109.503 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.668 HD13 ' CE2' ' B' ' 15' ' ' PHE . 1.0 OUTLIER -93.81 162.31 13.97 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 122.109 0.957 . . . . 0.0 108.594 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.567 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.6 t -130.55 161.1 32.25 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -47.19 -34.05 5.95 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 117.646 -1.621 . . . . 0.0 111.453 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -81.11 -29.99 34.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.151 -1.593 . . . . 0.0 110.409 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' H ' ' B' ' 29' ' ' SER . 49.4 mt-10 -73.53 -40.05 64.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.483 -1.386 . . . . 0.0 110.68 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.607 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.6 pp -59.91 -44.66 94.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.547 -1.345 . . . . 0.0 108.773 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.607 ' N ' HD12 ' B' ' 33' ' ' LEU . 83.1 tttt -63.7 -39.97 95.62 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.412 ' HA ' ' NE2' ' B' ' 38' ' ' GLN . 95.8 m-20 -70.07 -40.01 75.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.634 -1.291 . . . . 0.0 110.886 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' B' ' 74' ' ' PHE . 50.2 tp -63.64 -41.65 98.22 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-O 121.549 0.69 . . . . 0.0 110.808 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' B' ' 74' ' ' PHE . 89.2 mt -79.13 -46.84 17.2 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' B' ' 39' ' ' THR . 16.7 pt20 -65.22 -39.97 93.47 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.878 0.847 . . . . 0.0 112.904 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.454 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 69.5 m -52.45 -45.52 66.06 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.872 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -101.52 -16.9 16.64 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.08 -1.012 . . . . 0.0 111.773 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.544 HD13 HD13 ' B' ' 45' ' ' LEU . 40.4 mt -132.74 49.96 2.27 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.886 -1.133 . . . . 0.0 109.214 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.519 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 22.8 p -63.03 -49.71 73.55 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.881 . . . . 0.0 110.673 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.4 t -68.19 -39.97 82.32 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.191 -0.943 . . . . 0.0 111.814 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.2 t80 -84.53 -92.29 0.08 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.796 -1.19 . . . . 0.0 112.778 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.544 HD13 HD13 ' B' ' 41' ' ' LEU . 3.0 mp -33.52 134.86 0.13 Allowed 'General case' 0 N--CA 1.515 2.798 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.494 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.508 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.3 t0 -90.82 116.34 28.58 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-N 125.033 3.56 . . . . 0.0 109.726 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 48' ' ' GLN . 23.0 m -148.66 -39.97 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.056 . . . . 0.0 109.888 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.467 ' N ' HG23 ' B' ' 47' ' ' VAL . 17.9 pt20 -94.38 -40.5 9.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.155 -0.966 . . . . 0.0 111.842 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.519 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -59.98 -52.55 64.92 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -104.47 95.37 5.88 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.29 71.78 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 52' ' ' ASP . 50.3 t0 -59.94 -38.29 81.98 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.28 93.83 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.216 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -34.55 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.558 -1.339 . . . . 0.0 108.746 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 61.2 t0 -65.52 -40.01 92.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.967 -1.083 . . . . 0.0 110.505 -178.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -69.28 -43.27 74.22 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.224 -0.923 . . . . 0.0 110.505 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.94 -55.8 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.523 -0.736 . . . . 0.0 110.166 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.1 ttt -59.97 -32.52 70.9 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.524 -0.735 . . . . 0.0 109.691 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -49.99 75.53 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 118.89 -1.124 . . . . 0.0 108.324 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -70.53 -22.92 62.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.978 . . . . 0.0 108.697 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.744 HD11 ' O ' ' B' ' 73' ' ' GLU . 5.5 tp -82.94 -15.9 49.5 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -90.64 65.1 5.88 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -35.56 81.24 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.078 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.533 HD21 ' CG ' ' B' ' 66' ' ' ASP . 25.1 p-10 -71.51 -12.97 61.65 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.76 25.22 67.82 Favored Glycine 0 N--CA 1.485 1.905 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.533 ' CG ' HD21 ' B' ' 64' ' ' ASN . 32.5 p-10 -93.97 -117.31 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.532 ' H ' ' CG ' ' B' ' 66' ' ' ASP . . . -158.89 26.85 0.39 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -133.14 173.87 10.98 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.98 129.79 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.601 -1.312 . . . . 0.0 109.066 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 73' ' ' GLU . 96.0 m-20 -95.94 149.56 21.42 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.812 -1.18 . . . . 0.0 108.331 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' B' ' 75' ' ' VAL . 31.1 t80 -45.33 -31.62 1.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.047 . . . . 0.0 110.089 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.51 ' O ' HG23 ' B' ' 76' ' ' VAL . 75.5 mt-30 -70.05 -33.19 71.63 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 108.337 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.744 ' O ' HD11 ' B' ' 61' ' ' LEU . 52.0 mt-10 -78.55 -49.34 13.49 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.804 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.518 ' CE1' HD23 ' B' ' 36' ' ' LEU . 69.6 t80 -59.85 -49.08 79.11 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.191 -0.943 . . . . 0.0 112.426 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' B' ' 71' ' ' PHE . 39.8 t -60.02 -33.89 54.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.091 -1.006 . . . . 0.0 110.309 -177.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 72' ' ' GLN . 51.2 t -59.84 -40.57 83.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.889 -1.132 . . . . 0.0 110.239 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.738 ' C ' HD13 ' B' ' 77' ' ' LEU . 1.7 tm? -64.52 -48.82 73.68 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.887 -1.133 . . . . 0.0 111.989 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.486 ' N ' HD13 ' B' ' 77' ' ' LEU . 1.4 t -59.9 -40.08 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 120.566 -1.334 . . . . 0.0 109.66 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.45 97.13 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-O 121.689 0.756 . . . . 0.0 111.803 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.03 -23.23 48.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.63 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.679 HD21 ' ND2' ' Y' ' 8' ' ' ASN . 12.3 mt -81.19 -40.66 23.54 Favored 'General case' 0 N--CA 1.511 2.598 0 O-C-N 119.392 -2.068 . . . . 0.0 109.561 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -55.99 -45.19 79.09 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.268 -0.895 . . . . 0.0 109.918 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.437 HG23 ' N ' ' B' ' 84' ' ' ALA . 11.9 m -60.0 -40.82 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.056 -1.028 . . . . 0.0 109.929 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.437 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -61.24 -26.41 67.73 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.465 -0.772 . . . . 0.0 109.066 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -72.68 -47.16 49.63 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.654 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -63.29 -42.12 99.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.1 -1.0 . . . . 0.0 110.692 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -61.87 -40.01 93.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.284 -0.885 . . . . 0.0 111.063 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 65.2 t80 -88.8 -9.85 50.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.107 -0.995 . . . . 0.0 109.984 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -73.54 -37.15 65.69 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.219 -0.925 . . . . 0.0 109.023 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 N--CA 1.486 1.348 0 O-C-N 121.453 -0.78 . . . . 0.0 110.365 -179.267 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' X' ' 7' ' ' TRP . 5.1 pt . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.981 0.419 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 47.35 18.37 0.1 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.039 -1.038 . . . . 0.0 110.447 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.647 ' O ' HG22 ' X' ' 10' ' ' ILE . 32.4 t90 -60.09 -49.9 75.84 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.03 -1.044 . . . . 0.0 110.418 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.628 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.3 -35.68 38.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.776 -1.828 . . . . 0.0 109.14 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.42 ' HZ3' ' HD3' ' A' ' 56' ' ' LYS . 34.0 tttp -56.1 -23.4 33.85 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.647 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -55.07 -38.44 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 66.4 tp -59.92 -43.96 94.58 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 117.902 -1.047 . . . . 0.0 109.26 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.505 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.504 2.25 0 CA-C-O 122.703 1.239 . . . . 0.0 110.707 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . 0.473 ' HB3' ' HZ2' ' Y' ' 9' ' ' LYS . 92.4 m-20 -98.14 27.87 4.35 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.612 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.5 t90 -59.97 -48.04 83.35 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.684 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.467 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 10.8 p-10 -49.26 -38.22 26.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.341 -1.474 . . . . 0.0 109.083 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.473 ' HZ2' ' HB3' ' Y' ' 6' ' ' ASP . 4.9 ttpm? -59.49 -24.45 63.61 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.612 HG22 ' O ' ' Y' ' 7' ' ' TRP . 12.9 tt -52.83 -34.05 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' B' ' 80' ' ' ALA . 0.2 OUTLIER -65.42 -38.18 89.15 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.791 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.7 t . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.614 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.429 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 39.8 m -80.39 167.61 19.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.132 -1.217 . . . . 0.0 109.088 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -60.05 -43.38 95.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.893 -1.129 . . . . 0.0 111.452 -178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.2 -41.69 89.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.371 -1.455 . . . . 0.0 111.467 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 2' ' ' SER . 14.0 pt-20 -69.95 -23.69 63.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.431 -1.418 . . . . 0.0 109.296 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 m -59.95 -42.01 93.14 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.877 0.846 . . . . 0.0 109.167 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -76.89 -27.6 55.05 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -65.78 -52.7 48.66 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.348 -1.47 . . . . 0.0 109.629 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -31.23 69.75 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.125 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -68.17 -56.71 7.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.754 -1.216 . . . . 0.0 110.316 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -47.71 -39.7 18.3 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.305 -1.497 . . . . 0.0 108.957 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.42 -40.02 81.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 O-C-N 121.419 -0.801 . . . . 0.0 111.699 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -77.04 -41.66 41.62 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.014 -1.679 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 15' ' ' PHE . 8.6 m -60.43 -44.77 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 109.074 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' N ' HG23 ' A' ' 14' ' ' VAL . 6.4 t80 -60.16 -40.4 89.77 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.733 -0.605 . . . . 0.0 109.726 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.25 -36.16 79.24 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.453 -1.404 . . . . 0.0 109.204 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -56.08 -55.72 29.48 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.536 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 3.9 t60 -84.57 -40.05 18.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.801 -1.187 . . . . 0.0 111.29 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 24' ' ' ASP . 7.0 m -60.15 -29.4 68.63 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.354 -0.841 . . . . 0.0 113.026 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.53 9.97 41.83 Favored Glycine 0 N--CA 1.504 3.229 0 O-C-N 120.75 -1.219 . . . . 0.0 112.717 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -115.57 -62.52 1.58 Allowed 'General case' 0 N--CA 1.507 2.39 0 CA-C-N 119.483 1.641 . . . . 0.0 109.062 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.66 77.1 2.04 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.21 -155.39 26.11 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.892 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 54.3 t0 -82.34 153.08 25.97 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.1 mtmp? -57.48 -53.74 54.72 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.134 -0.978 . . . . 0.0 112.499 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 65.0 t80 -117.71 22.9 12.06 Favored 'General case' 0 N--CA 1.511 2.615 0 O-C-N 120.494 -1.379 . . . . 0.0 112.549 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -133.01 140.01 47.52 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.56 -1.338 . . . . 0.0 108.239 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.8 tp -93.96 157.72 15.97 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.655 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 71.3 m -130.36 167.97 17.68 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.982 -1.074 . . . . 0.0 109.989 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.551 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 tptt -47.75 -38.76 16.13 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.284 -0.885 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 78.1 tttt -82.15 -30.94 30.76 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.242 -1.536 . . . . 0.0 110.485 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.655 ' HB2' ' H ' ' A' ' 29' ' ' SER . 46.8 mt-10 -70.03 -39.91 75.5 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.533 -1.355 . . . . 0.0 110.481 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.3 pp -65.49 -42.03 92.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' N ' HD12 ' A' ' 33' ' ' LEU . 52.9 tttm -62.43 -38.66 90.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 112.038 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.536 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 3.5 p30 -80.73 -37.69 30.1 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 111.386 -177.663 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 42.6 tp -60.17 -49.74 76.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.995 -1.065 . . . . 0.0 109.216 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.7 mp -69.08 -42.55 76.04 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.834 0.826 . . . . 0.0 110.573 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -69.85 -36.67 75.74 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.518 0.675 . . . . 0.0 110.839 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.6 m -59.91 -50.77 72.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.689 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -97.9 -13.46 21.2 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.95 -1.094 . . . . 0.0 111.571 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 mt -128.76 44.37 2.98 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 t -60.16 -49.61 76.96 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.531 0.681 . . . . 0.0 110.589 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.543 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 80.2 p -79.6 -18.65 51.14 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.758 -0.589 . . . . 0.0 111.96 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.7 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t80 -95.14 -105.15 0.15 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.417 -1.427 . . . . 0.0 111.431 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.7 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -13.54 154.07 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.025 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.436 175.898 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.628 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 1.7 m-20 -92.51 112.76 24.83 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 124.191 3.178 . . . . 0.0 110.158 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.0 -83.74 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.488 0 O-C-N 120.445 -1.409 . . . . 0.0 109.716 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.442 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 4.2 mm100 -60.02 -40.06 88.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 111.48 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' NZ ' ' O ' ' A' ' 43' ' ' SER . 45.3 mtmt -67.3 -19.9 65.54 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -144.67 90.89 2.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.55 77.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.07 -34.03 71.49 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.82 83.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.255 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -36.72 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.496 -1.378 . . . . 0.0 108.41 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.551 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 96.2 m-20 -67.87 -40.55 83.59 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.349 -0.844 . . . . 0.0 111.81 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HD3' ' HZ3' ' X' ' 9' ' ' LYS . 97.6 mttt -70.01 -39.95 75.54 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.953 -1.092 . . . . 0.0 110.35 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.429 HD11 ' CG ' ' X' ' 8' ' ' ASN . 70.3 mt -67.67 -54.36 23.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-O 121.979 0.895 . . . . 0.0 110.559 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ASP . 18.4 ttt -60.07 -37.21 79.23 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.687 -0.633 . . . . 0.0 109.907 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -59.89 -45.71 91.65 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -58.35 -24.69 60.55 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.6 mt -95.09 -21.24 18.68 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' MET . 85.3 m-20 -73.12 43.54 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.2 mm-40 -60.35 -40.3 90.22 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.694 -0.803 . . . . 0.0 109.778 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.05 35.9 52.71 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 107.496 -2.242 . . . . 0.0 107.496 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -92.68 -9.07 42.15 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.48 -1.012 . . . . 0.0 111.609 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.13 12.49 75.87 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -133.39 174.29 10.56 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.51 129.39 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 120.813 -1.179 . . . . 0.0 109.397 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 41.3 t0 -98.79 152.75 19.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.034 -1.041 . . . . 0.0 109.144 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.533 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 11.2 t80 -50.38 -19.98 0.98 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.52 -0.737 . . . . 0.0 109.042 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 mp0 -77.88 -24.5 48.46 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.883 -1.135 . . . . 0.0 108.349 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 70' ' ' ASP . 80.3 mt-10 -86.98 -49.47 7.32 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.719 0.771 . . . . 0.0 109.987 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 37' ' ' LEU . 9.4 t80 -63.59 -47.24 82.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.739 -0.601 . . . . 0.0 110.671 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.677 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.3 t -59.99 -40.07 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.028 -1.045 . . . . 0.0 109.677 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.8 t -60.7 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.946 -1.096 . . . . 0.0 109.921 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.692 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.1 tm? -63.16 -50.39 70.58 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.378 -0.826 . . . . 0.0 112.461 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 82' ' ' THR . 13.3 m -60.0 -39.57 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 120.438 -1.414 . . . . 0.0 109.285 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.701 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.05 -39.16 85.0 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.551 -0.718 . . . . 0.0 109.718 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -79.46 -26.43 41.71 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.5 HD11 ' OD1' ' X' ' 8' ' ' ASN . 84.0 mt -84.5 -47.93 10.1 Favored 'General case' 0 N--CA 1.511 2.607 0 O-C-N 119.332 -2.105 . . . . 0.0 108.911 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.555 HG23 ' N ' ' A' ' 83' ' ' VAL . 8.8 t -47.85 -45.65 30.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.475 -0.766 . . . . 0.0 109.472 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.555 ' N ' HG23 ' A' ' 82' ' ' THR . 15.5 m -60.18 -41.88 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.0 110.467 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.03 -27.12 66.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.89 -45.93 47.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.04 -41.09 91.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.977 . . . . 0.0 110.279 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -59.97 -40.12 88.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.162 -0.961 . . . . 0.0 110.184 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.94 -0.8 57.78 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.128 -0.983 . . . . 0.0 109.397 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.27 -19.59 50.18 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -60.19 -43.38 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.161 -0.962 . . . . 0.0 111.347 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.03 -41.86 90.35 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.353 -1.467 . . . . 0.0 111.428 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -69.96 -23.45 63.19 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.364 -1.46 . . . . 0.0 109.202 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 -42.18 93.55 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 122.015 0.912 . . . . 0.0 109.167 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -76.94 -27.48 54.87 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.6 mmm -65.63 -52.86 48.67 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.447 -1.408 . . . . 0.0 109.691 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.83 -32.03 71.44 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.088 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.71 -56.7 8.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.71 -1.244 . . . . 0.0 110.348 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -47.6 -39.61 17.25 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.249 -1.532 . . . . 0.0 108.968 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.3 mt -68.64 -40.06 81.22 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 O-C-N 121.346 -0.846 . . . . 0.0 111.615 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -76.77 -41.86 43.07 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.008 -1.683 . . . . 0.0 112.087 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.574 HG23 ' N ' ' B' ' 15' ' ' PHE . 10.1 m -60.36 -45.01 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.079 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.574 ' N ' HG23 ' B' ' 14' ' ' VAL . 6.5 t80 -60.05 -40.41 89.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.787 -0.571 . . . . 0.0 109.667 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -61.23 -36.12 79.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.371 -1.455 . . . . 0.0 109.184 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -55.74 -56.15 23.9 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -177.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 3.9 t60 -84.47 -40.14 18.06 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.867 -1.146 . . . . 0.0 111.262 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.467 ' O ' ' O ' ' B' ' 24' ' ' ASP . 6.9 m -60.18 -29.53 68.75 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.3 -0.875 . . . . 0.0 113.052 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.36 10.03 42.49 Favored Glycine 0 N--CA 1.505 3.268 0 O-C-N 120.815 -1.178 . . . . 0.0 112.623 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -115.77 -62.33 1.61 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-N 119.553 1.677 . . . . 0.0 109.023 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -99.82 76.83 1.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.49 -155.22 26.02 Favored Glycine 0 N--CA 1.487 2.091 0 C-N-CA 119.407 -1.378 . . . . 0.0 110.854 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 55.6 t0 -82.53 153.01 25.76 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.78 -0.835 . . . . 0.0 108.78 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.535 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 8.3 mtmp? -57.16 -53.92 52.59 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 112.689 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 65.2 t80 -117.48 22.74 12.22 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 120.407 -1.433 . . . . 0.0 112.456 -177.292 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -133.0 140.05 47.55 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.144 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.495 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.0 tp -94.04 157.85 15.9 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.659 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 68.6 m -130.57 168.11 17.62 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.927 -1.108 . . . . 0.0 110.015 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.544 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 48.0 tptt -47.76 -38.85 16.39 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.339 -0.85 . . . . 0.0 111.005 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.421 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 79.5 tttt -82.01 -31.13 31.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.151 -1.593 . . . . 0.0 110.436 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.659 ' HB2' ' H ' ' B' ' 29' ' ' SER . 46.8 mt-10 -69.92 -40.02 75.82 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.481 -1.387 . . . . 0.0 110.473 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.642 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.4 pp -65.3 -42.24 93.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.97 -1.081 . . . . 0.0 110.47 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.642 ' N ' HD12 ' B' ' 33' ' ' LEU . 52.5 tttm -62.27 -38.82 90.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 112.049 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 3.4 p30 -80.61 -37.69 30.68 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.028 -1.045 . . . . 0.0 111.347 -177.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 44.5 tp -59.99 -49.75 76.45 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.983 -1.073 . . . . 0.0 109.203 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 4.9 mp -69.23 -42.48 75.62 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.884 0.849 . . . . 0.0 110.582 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -69.97 -36.58 75.31 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.546 -0.721 . . . . 0.0 110.915 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -59.95 -50.78 72.41 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.492 -175.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -97.76 -13.6 21.3 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.984 -1.073 . . . . 0.0 111.523 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -128.74 44.49 2.95 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.8 t -60.0 -49.97 75.59 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.599 0.714 . . . . 0.0 110.583 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 83.6 p -79.49 -17.69 53.6 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.66 -0.65 . . . . 0.0 111.935 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' B' ' 45' ' ' LEU . 13.6 t80 -96.42 -92.11 0.22 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.445 -1.409 . . . . 0.0 113.268 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -37.84 160.03 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -176.016 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 1.0 OUTLIER -91.99 113.02 25.18 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 119.053 -2.279 . . . . 0.0 109.59 178.111 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -144.91 -83.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 120.707 -1.246 . . . . 0.0 109.432 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.452 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 4.2 mm100 -60.04 -40.08 88.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 0.0 111.534 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 43' ' ' SER . 44.0 mtmt -67.64 -19.75 65.24 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -144.46 90.74 2.12 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.01 76.4 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.9 -34.25 71.46 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.86 86.83 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.972 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -36.26 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.413 -1.429 . . . . 0.0 108.437 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.544 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.5 m-20 -68.33 -40.25 81.66 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.198 -0.939 . . . . 0.0 111.801 -178.11 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.408 ' HZ3' ' HD2' ' Y' ' 9' ' ' LYS . 95.6 mttt -70.39 -39.97 74.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.854 -1.154 . . . . 0.0 110.185 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.427 HG13 HD22 ' Y' ' 8' ' ' ASN . 81.2 mt -67.44 -54.3 24.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 CA-C-O 121.872 0.844 . . . . 0.0 110.511 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.458 ' O ' ' N ' ' B' ' 62' ' ' ASP . 18.8 ttt -60.02 -37.21 79.08 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.421 0.629 . . . . 0.0 109.98 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -60.08 -45.7 92.03 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -58.88 -22.8 60.02 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' B' ' 63' ' ' GLU . 67.6 mt -96.74 -21.09 17.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.404 -0.81 . . . . 0.0 110.152 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' B' ' 58' ' ' MET . 85.0 m-20 -73.3 43.56 0.13 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.1 mm-40 -60.45 -40.23 90.4 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.661 -0.815 . . . . 0.0 109.735 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -77.94 -19.38 54.72 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.85 35.71 53.99 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -92.43 -9.2 42.42 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.437 -1.037 . . . . 0.0 111.606 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.02 12.72 75.64 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -133.55 174.7 10.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 13.0 t -132.05 129.11 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 120.764 -1.21 . . . . 0.0 109.475 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -98.79 152.58 19.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.991 -1.068 . . . . 0.0 109.064 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 11.0 t80 -50.06 -19.98 0.86 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.531 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.4 mp0 -78.08 -24.23 47.71 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.842 -1.161 . . . . 0.0 108.404 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 70' ' ' ASP . 80.7 mt-10 -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.592 0.711 . . . . 0.0 110.005 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.464 ' CE1' HD11 ' B' ' 37' ' ' LEU . 9.2 t80 -63.67 -47.02 82.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.776 -0.578 . . . . 0.0 110.595 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.701 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.3 t -60.1 -40.01 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.985 -1.072 . . . . 0.0 109.836 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -60.55 -40.76 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.832 -1.167 . . . . 0.0 109.942 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.687 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.1 tm? -63.38 -50.28 70.52 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.223 -0.923 . . . . 0.0 112.53 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.435 ' O ' HG22 ' B' ' 82' ' ' THR . 15.4 m -60.03 -39.49 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.462 -1.399 . . . . 0.0 109.313 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.04 -39.46 86.01 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 121.769 0.795 . . . . 0.0 109.657 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' Y' ' 11' ' ' LEU . . . -79.38 -26.41 41.99 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.588 HD23 HD23 ' Y' ' 11' ' ' LEU . 85.3 mt -84.18 -47.61 10.67 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.365 -2.084 . . . . 0.0 109.012 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.547 HG23 ' N ' ' B' ' 83' ' ' VAL . 8.8 t -48.24 -45.74 34.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.693 -0.63 . . . . 0.0 109.52 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.547 ' N ' HG23 ' B' ' 82' ' ' THR . 14.6 m -60.04 -41.92 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 0.0 110.496 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.474 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -60.1 -26.72 66.43 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.358 -0.839 . . . . 0.0 109.299 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -74.35 -45.78 44.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.08 -40.99 91.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -60.16 -39.97 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.124 -0.985 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.91 -0.82 57.78 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.085 -1.009 . . . . 0.0 109.545 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -79.36 -19.66 49.68 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.564 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 p-10 -149.14 9.67 0.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.157 -0.964 . . . . 0.0 109.43 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.591 ' O ' ' N ' ' X' ' 10' ' ' ILE . 8.5 p-90 -69.91 -23.32 63.21 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.212 -1.555 . . . . 0.0 110.105 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' X' ' 7' ' ' TRP . 60.8 t30 -52.97 -32.68 47.44 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 119.421 -2.049 . . . . 0.0 106.197 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' X' ' 12' ' ' SER . 86.3 tttt -63.26 -30.15 71.34 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -42.16 -46.57 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.753 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.547 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 54.9 tp -64.97 -40.17 94.6 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.497 ' N ' ' O ' ' X' ' 9' ' ' LYS . 2.1 t . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.378 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.488 HD13 ' NZ ' ' B' ' 49' ' ' LYS . 41.9 pt . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -120.88 9.81 10.74 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.027 -1.045 . . . . 0.0 109.251 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.651 ' O ' HG22 ' Y' ' 10' ' ' ILE . 63.7 t90 -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.165 -0.96 . . . . 0.0 111.414 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.56 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 1.2 t-20 -51.4 -34.13 33.29 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 119.356 -2.09 . . . . 0.0 109.467 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.19 -23.2 54.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.651 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.5 tt -52.39 -40.2 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 177.429 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.472 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 27.8 tp -76.85 -39.9 49.6 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.562 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' Y' ' 11' ' ' LEU . 2.1 p . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.289 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.52 2.568 . . . . 0.0 119.52 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -83.34 158.24 22.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.237 -1.155 . . . . 0.0 109.782 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -41.62 -57.19 2.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.546 -0.721 . . . . 0.0 110.923 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.14 -42.29 84.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.064 -1.022 . . . . 0.0 110.927 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.06 -38.06 81.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.875 -1.14 . . . . 0.0 109.575 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.3 m -54.27 -48.8 70.81 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.002 0.906 . . . . 0.0 110.167 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -26.74 67.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.8 ttt -71.08 -49.06 48.59 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.38 -1.45 . . . . 0.0 110.482 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.96 -26.85 64.31 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.536 -0.727 . . . . 0.0 110.375 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.69 -56.71 13.62 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.856 -1.152 . . . . 0.0 109.024 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.0 mp -59.42 -39.42 83.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.168 -1.582 . . . . 0.0 110.398 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 73.6 mt -64.16 -39.88 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.426 -1.421 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.47 -41.87 26.55 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.82 -1.8 . . . . 0.0 112.195 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.2 p -61.61 -42.05 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.287 . . . . 0.0 109.483 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.767 ' CE2' HD13 ' A' ' 28' ' ' LEU . 5.9 t80 -60.09 -39.94 87.84 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.611 -0.68 . . . . 0.0 109.561 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 12' ' ' ILE . 29.0 m80 -62.59 -36.24 82.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.543 -1.348 . . . . 0.0 109.984 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.44 31.89 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.143 -0.973 . . . . 0.0 112.907 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -83.16 -40.77 19.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.968 -1.083 . . . . 0.0 112.252 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -61.32 -31.1 70.95 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.07 15.31 56.7 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 120.614 -1.303 . . . . 0.0 113.087 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.8 -57.83 2.18 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 120.07 1.935 . . . . 0.0 110.322 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -101.48 23.21 11.43 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.168 -0.958 . . . . 0.0 111.339 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.23 -166.63 23.46 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 118.393 -1.86 . . . . 0.0 111.943 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -58.73 140.41 54.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.918 -0.754 . . . . 0.0 109.247 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.08 -50.0 59.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.387 -0.82 . . . . 0.0 111.892 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -108.94 19.96 18.99 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.745 -1.222 . . . . 0.0 112.078 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -136.48 144.54 44.4 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.503 -1.373 . . . . 0.0 110.768 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.767 HD13 ' CE2' ' A' ' 15' ' ' PHE . 1.6 tp -92.55 117.62 30.14 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.253 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -77.34 159.93 29.18 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 119.822 -1.799 . . . . 0.0 108.649 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.94 -38.07 2.09 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.13 -0.981 . . . . 0.0 110.543 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -80.31 -27.85 38.36 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.487 -1.383 . . . . 0.0 110.124 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.92 -40.13 72.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.586 -1.321 . . . . 0.0 110.716 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.455 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 2.8 pp -63.79 -44.17 94.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.678 -1.264 . . . . 0.0 109.847 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 72.2 tttt -64.06 -39.77 94.81 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.446 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.13 -39.95 75.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.766 -1.209 . . . . 0.0 110.908 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.07 -47.47 84.56 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.61 -0.681 . . . . 0.0 110.582 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 74' ' ' PHE . 4.1 mm? -69.94 -49.08 55.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.73 . . . . 0.0 112.359 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 12.7 pt20 -65.66 -40.43 92.42 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 96.4 m -48.91 -49.96 37.44 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.199 -0.938 . . . . 0.0 111.427 -174.559 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.04 -13.03 20.04 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.204 -0.935 . . . . 0.0 110.338 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 mt -132.75 40.8 3.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -60.02 -50.71 72.65 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.726 0.774 . . . . 0.0 110.684 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -81.55 -17.63 47.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.668 -0.645 . . . . 0.0 112.268 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -84.07 -105.86 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.096 -1.627 . . . . 0.0 110.476 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.645 ' O ' ' O ' ' A' ' 44' ' ' PHE . 8.4 mp -16.33 153.5 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.895 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.423 174.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -92.95 108.71 20.21 Favored 'General case' 0 N--CA 1.511 2.608 0 CA-C-N 123.547 2.885 . . . . 0.0 109.013 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.498 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -148.18 -61.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 120.166 -1.584 . . . . 0.0 108.678 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.7 mm100 -70.02 -40.27 75.3 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.015 . . . . 0.0 110.243 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.27 -21.82 62.92 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -139.8 90.51 2.4 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.74 67.27 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.03 -37.39 79.64 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.2 81.36 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.683 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -39.14 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.115 -1.616 . . . . 0.0 107.924 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.65 -39.96 94.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.763 -0.586 . . . . 0.0 111.712 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.65 -40.14 96.1 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.812 -1.18 . . . . 0.0 110.08 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.09 -41.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.633 0.73 . . . . 0.0 110.067 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.588 -0.695 . . . . 0.0 111.374 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 2.9 ptmt -65.52 -36.88 85.15 Favored 'General case' 0 C--N 1.289 -2.048 0 C-N-CA 117.998 -1.481 . . . . 0.0 107.11 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 83.1 tt0 -63.67 -30.27 71.4 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 73' ' ' GLU . 25.1 mt -90.89 -18.65 24.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.497 -0.752 . . . . 0.0 110.542 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 87.0 m-20 -77.96 43.35 0.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.654 -1.279 . . . . 0.0 108.403 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.5 mt-10 -60.09 -40.59 90.13 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.804 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.08 -18.74 57.8 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.19 33.68 58.93 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.108 -1.997 . . . . 0.0 108.108 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' O ' ' OE2' ' A' ' 68' ' ' GLU . 33.3 p-10 -89.98 -8.99 50.35 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.374 -1.074 . . . . 0.0 111.985 -177.288 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.98 6.85 88.96 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 66' ' ' ASP . 10.0 mp0 -142.31 169.34 17.76 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.28 125.74 68.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' GLU . 83.9 m-20 -90.79 146.48 23.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.438 ' CE2' ' CG ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -42.65 -32.18 0.55 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.238 -0.914 . . . . 0.0 110.52 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.99 -27.48 64.74 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 109.16 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' ASP . 86.5 mt-10 -82.37 -42.76 18.26 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.936 0.874 . . . . 0.0 109.914 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 37' ' ' LEU . 4.2 t80 -67.82 -49.81 60.23 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.476 -0.765 . . . . 0.0 111.254 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' B' ' 79' ' ' ALA . 5.4 p -59.98 -34.2 55.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.269 -0.895 . . . . 0.0 110.591 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -62.44 -33.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.439 178.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.708 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.2 tm? -69.42 -55.01 11.55 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.606 -0.684 . . . . 0.0 112.001 -177.708 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 79' ' ' ALA . 35.6 m -60.19 -35.39 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 CA-C-O 122.555 1.169 . . . . 0.0 109.42 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -65.6 -39.94 92.1 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.797 0.808 . . . . 0.0 110.199 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.34 57.92 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.071 HD13 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -70.95 -39.97 72.29 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 119.36 -2.088 . . . . 0.0 109.899 -177.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 1.071 ' N ' HD13 ' A' ' 81' ' ' LEU . 2.2 t -60.15 -49.81 76.16 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.779 -1.2 . . . . 0.0 110.97 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 84' ' ' ALA . 13.3 m -60.05 -40.55 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.829 -1.17 . . . . 0.0 109.843 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.442 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.46 -25.79 68.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.561 -0.712 . . . . 0.0 109.12 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.552 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 54.1 t -69.34 -41.36 76.74 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.122 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.74 -40.61 93.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.939 -1.101 . . . . 0.0 108.813 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.42 -39.85 92.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.616 -0.678 . . . . 0.0 109.704 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 64.6 t80 -77.46 -10.42 59.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.483 -0.761 . . . . 0.0 110.006 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 3.5 m-85 -90.85 -20.82 21.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.079 -1.013 . . . . 0.0 109.026 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.333 -0.855 . . . . 0.0 110.046 -179.292 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.309 0.575 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -41.74 -57.22 2.4 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.506 -0.746 . . . . 0.0 110.926 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.05 -42.08 85.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 110.945 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -59.96 -38.15 81.62 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.928 -1.108 . . . . 0.0 109.602 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -54.48 -48.6 71.62 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 122.003 0.906 . . . . 0.0 110.256 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.04 -26.95 67.75 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.3 ttt -71.13 -48.98 48.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.323 -1.486 . . . . 0.0 110.505 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.561 -0.712 . . . . 0.0 110.457 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -63.7 -56.66 13.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.824 -1.172 . . . . 0.0 109.131 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.487 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.0 mp -59.38 -39.48 83.47 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.185 -1.572 . . . . 0.0 110.507 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.428 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 72.5 mt -64.08 -39.96 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.474 -1.391 . . . . 0.0 112.125 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.44 -41.98 26.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 119.873 -1.767 . . . . 0.0 112.204 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.2 p -61.34 -42.12 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.655 -1.278 . . . . 0.0 109.43 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' B' ' 28' ' ' LEU . 6.1 t80 -60.03 -40.1 88.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.637 -0.665 . . . . 0.0 109.556 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' B' ' 12' ' ' ILE . 29.3 m80 -62.44 -36.54 82.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.672 -1.267 . . . . 0.0 110.03 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.35 -55.51 30.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.198 -0.939 . . . . 0.0 112.902 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -83.02 -40.84 19.41 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.954 -1.091 . . . . 0.0 112.312 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -61.34 -31.01 70.87 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.93 15.19 56.99 Favored Glycine 0 N--CA 1.502 3.076 0 O-C-N 120.517 -1.364 . . . . 0.0 113.139 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.86 -57.58 2.21 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.02 1.91 . . . . 0.0 110.379 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -101.91 23.26 11.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 111.267 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.12 -166.96 23.88 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 118.528 -1.796 . . . . 0.0 111.933 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -58.54 140.49 54.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.9 -0.765 . . . . 0.0 109.308 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -51.35 -49.92 60.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.373 -0.829 . . . . 0.0 111.912 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.82 20.11 18.86 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.789 -1.195 . . . . 0.0 112.101 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -136.68 144.47 43.96 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.525 -1.36 . . . . 0.0 110.655 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' B' ' 15' ' ' PHE . 1.6 tp -92.27 117.76 30.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.307 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -77.47 159.94 29.03 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 119.754 -1.841 . . . . 0.0 108.511 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -43.07 -38.04 2.2 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.25 -0.906 . . . . 0.0 110.451 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -80.16 -27.8 38.94 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.501 -1.374 . . . . 0.0 110.164 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.06 -40.12 71.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.551 -1.343 . . . . 0.0 110.654 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.448 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 2.9 pp -63.8 -44.09 94.35 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.685 -1.259 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.448 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 73.0 tttt -64.01 -39.98 95.32 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.229 -0.989 . . . . 0.0 111.464 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.95 -40.04 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.733 -1.23 . . . . 0.0 111.115 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.94 -47.61 84.13 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.579 -0.701 . . . . 0.0 110.629 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' B' ' 74' ' ' PHE . 4.0 mm? -70.0 -49.02 55.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 112.384 -177.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.3 pt20 -65.54 -40.45 92.91 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 98.5 m -48.87 -49.95 37.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.13 -0.981 . . . . 0.0 111.415 -174.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -99.01 -13.23 19.98 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.234 -0.916 . . . . 0.0 110.304 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 51.9 mt -132.32 40.64 3.29 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.5 t -60.09 -50.76 72.45 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.672 0.748 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -81.59 -16.62 51.02 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.64 -0.663 . . . . 0.0 112.206 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.7 t80 -85.64 -92.37 0.09 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.16 -1.588 . . . . 0.0 112.246 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 44' ' ' PHE . 8.1 mp -39.93 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.56 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.3 t0 -93.06 107.89 19.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.328 -2.107 . . . . 0.0 108.634 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.0 m -148.14 -61.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 120.549 -1.344 . . . . 0.0 108.304 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.8 mm100 -70.11 -40.56 74.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.242 -0.911 . . . . 0.0 110.274 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.488 ' NZ ' HD13 ' Y' ' 5' ' ' ILE . 46.3 mtmt -69.98 -22.1 63.17 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -139.87 90.51 2.39 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.68 67.22 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.94 -37.36 79.31 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.83 85.43 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.361 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.98 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.163 -1.586 . . . . 0.0 108.147 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.71 -40.14 94.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.622 -0.674 . . . . 0.0 111.742 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.52 -40.13 96.24 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.662 -1.274 . . . . 0.0 110.133 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.403 ' N ' HD12 ' B' ' 57' ' ' ILE . 1.7 mp -72.08 -41.88 67.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 O-C-N 121.496 -0.752 . . . . 0.0 110.158 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -64.34 -39.93 94.87 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.551 -0.718 . . . . 0.0 111.392 -177.494 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' B' ' 60' ' ' GLU . 3.3 ptmt -65.36 -36.76 84.97 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 118.004 -1.478 . . . . 0.0 107.089 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 78.0 tt0 -64.71 -27.65 69.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.446 HD22 ' O ' ' B' ' 73' ' ' GLU . 24.5 mt -92.99 -18.62 22.48 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 86.5 m-20 -77.98 43.11 0.42 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.778 -1.201 . . . . 0.0 108.396 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.4 mt-10 -60.02 -40.73 90.28 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.582 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -76.85 -18.99 58.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.45 33.52 58.5 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.435 ' O ' ' OE2' ' B' ' 68' ' ' GLU . 32.8 p-10 -89.98 -9.14 49.81 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.417 -1.049 . . . . 0.0 111.987 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.97 7.11 88.8 Favored Glycine 0 N--CA 1.503 3.104 0 N-CA-C 109.666 -1.373 . . . . 0.0 109.666 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 66' ' ' ASP . 9.8 mp0 -142.58 169.3 17.84 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -111.1 125.69 68.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.122 -0.986 . . . . 0.0 109.881 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' B' ' 73' ' ' GLU . 84.5 m-20 -90.72 146.54 23.92 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.433 ' CE2' ' CG ' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -42.58 -32.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 110.582 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.95 -27.56 64.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 119.999 -1.688 . . . . 0.0 109.153 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 70' ' ' ASP . 85.4 mt-10 -82.46 -42.57 18.34 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.843 0.83 . . . . 0.0 109.828 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.414 ' CE1' HD21 ' B' ' 37' ' ' LEU . 4.3 t80 -67.98 -49.67 60.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.452 -0.78 . . . . 0.0 111.262 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.641 HG22 ' HB1' ' A' ' 79' ' ' ALA . 5.5 p -60.03 -34.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.232 -0.917 . . . . 0.0 110.648 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.441 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -62.5 -33.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.503 178.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.715 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.2 tm? -69.6 -54.97 11.43 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.627 -0.671 . . . . 0.0 111.917 -177.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 79' ' ' ALA . 35.7 m -60.17 -35.33 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 122.479 1.133 . . . . 0.0 109.405 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -65.74 -39.94 91.63 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.937 0.875 . . . . 0.0 110.196 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.96 -34.89 57.55 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 1.052 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -71.38 -39.78 71.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 119.254 -2.154 . . . . 0.0 110.045 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 1.052 ' N ' HD13 ' B' ' 81' ' ' LEU . 2.1 t -59.94 -49.84 76.1 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.854 -1.154 . . . . 0.0 110.995 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.445 HG23 ' N ' ' B' ' 84' ' ' ALA . 14.7 m -59.86 -40.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 120.837 -1.164 . . . . 0.0 109.885 177.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.445 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.58 -25.54 68.01 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.467 -0.77 . . . . 0.0 109.164 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 52.7 t -69.07 -41.85 77.0 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.969 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.6 -40.38 91.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.839 -1.163 . . . . 0.0 108.894 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.6 -39.85 92.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.488 0.661 . . . . 0.0 109.735 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.44 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 64.6 t80 -77.53 -10.12 59.31 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.414 -0.804 . . . . 0.0 110.014 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.5 m-85 -91.0 -20.86 21.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.036 -1.04 . . . . 0.0 108.985 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.348 -0.845 . . . . 0.0 109.995 -179.306 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.521 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.7 pt . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -110.9 17.56 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 121.972 0.891 . . . . 0.0 109.086 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.661 ' O ' HG22 ' X' ' 10' ' ' ILE . 84.6 t90 -64.3 -53.77 43.67 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.973 -1.079 . . . . 0.0 112.35 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.498 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -51.9 -31.98 30.61 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.313 -2.117 . . . . 0.0 109.215 -178.605 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' X' ' 12' ' ' SER . 68.7 mttm -59.99 -22.94 63.21 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.661 HG22 ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -49.87 -38.66 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 44.2 tp -75.66 -33.15 60.42 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 176.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.559 ' N ' ' O ' ' X' ' 9' ' ' LYS . 28.0 t . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.051 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.097 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -139.11 11.46 2.6 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.686 ' O ' HG22 ' Y' ' 10' ' ' ILE . 38.8 t90 -58.29 -43.22 87.97 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.643 -0.661 . . . . 0.0 109.744 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -52.75 -30.37 32.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.854 -1.779 . . . . 0.0 107.189 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -56.13 -28.13 56.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.686 HG22 ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -50.56 -36.99 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 47.5 tp -64.73 -40.03 94.63 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.867 -179.577 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.712 0 N-CA-C 119.879 2.711 . . . . 0.0 119.879 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 m -81.04 154.73 26.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.031 -1.276 . . . . 0.0 109.172 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -46.57 -53.89 10.5 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.437 -0.79 . . . . 0.0 110.514 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.401 HD11 HG11 ' B' ' 78' ' ' VAL . 56.6 tp -66.94 -41.31 87.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.173 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -63.13 -40.34 97.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.333 -0.854 . . . . 0.0 109.468 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 10' ' ' THR . 30.0 m -48.07 -44.6 31.59 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.111 0.957 . . . . 0.0 109.394 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.39 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.036 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.7 ttt -69.84 -52.46 24.79 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.597 -1.314 . . . . 0.0 111.196 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -67.02 -29.61 69.48 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.141 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -60.56 -55.94 27.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 0.0 110.376 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.4 mp -58.74 -35.91 73.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.7 -1.875 . . . . 0.0 110.255 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.87 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 120.754 -1.216 . . . . 0.0 112.598 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.28 -39.53 25.1 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 119.639 -1.913 . . . . 0.0 112.038 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.6 p -60.0 -42.55 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.479 -1.388 . . . . 0.0 108.794 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.507 ' N ' HG13 ' A' ' 14' ' ' VAL . 19.2 t80 -61.71 -40.09 93.83 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.283 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -61.63 -38.44 87.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.597 -1.315 . . . . 0.0 110.67 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.06 -55.74 30.84 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -80.08 -43.45 21.75 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 24' ' ' ASP . 42.5 t -54.92 -28.21 49.17 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.78 11.21 25.32 Favored Glycine 0 N--CA 1.507 3.367 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.492 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 23' ' ' GLY . 66.9 mttm -123.18 -74.77 0.61 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 118.986 1.393 . . . . 0.0 108.512 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.32 21.05 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.245 -0.91 . . . . 0.0 111.095 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 179.81 -165.06 33.35 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 118.441 -1.838 . . . . 0.0 111.953 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.4 m-20 -45.35 153.26 0.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.844 0.831 . . . . 0.0 110.608 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -52.22 -54.12 35.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.541 -0.724 . . . . 0.0 112.248 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -131.62 32.61 4.12 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.788 -1.195 . . . . 0.0 111.775 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -133.36 141.91 48.15 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.774 -1.204 . . . . 0.0 108.365 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -99.02 111.65 23.99 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.792 0.806 . . . . 0.0 110.248 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' LYS . 64.0 m -81.33 162.09 23.57 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.064 -1.647 . . . . 0.0 108.882 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' SER . 52.0 tttt -44.89 -30.75 1.05 Allowed 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -82.89 -29.56 29.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.619 -1.301 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.93 -42.14 73.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.801 -1.187 . . . . 0.0 109.745 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 34' ' ' LYS . 2.3 pp -62.99 -45.73 91.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.006 -1.059 . . . . 0.0 110.236 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.652 ' N ' HD12 ' A' ' 33' ' ' LEU . 75.9 tttt -62.06 -39.66 93.16 Favored 'General case' 0 C--O 1.197 -1.697 0 O-C-N 121.017 -1.052 . . . . 0.0 111.805 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 57.1 t0 -72.45 -39.54 67.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.806 -1.184 . . . . 0.0 110.502 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD11 HG22 ' A' ' 14' ' ' VAL . 63.0 tp -61.15 -50.72 72.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 110.467 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 2.8 mm? -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.003 0.906 . . . . 0.0 110.525 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.52 ' O ' ' CA ' ' A' ' 42' ' ' SER . 5.9 tt0 -65.81 -40.86 92.28 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.489 -0.757 . . . . 0.0 112.553 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.403 ' OG1' ' OD1' ' A' ' 35' ' ' ASP . 92.8 m -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.984 -1.073 . . . . 0.0 112.53 -174.041 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -94.5 -12.84 26.87 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.64 -1.287 . . . . 0.0 110.444 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.486 HD13 HD13 ' A' ' 45' ' ' LEU . 70.8 mt -131.85 34.09 3.9 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.52 ' CA ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -50.92 -59.55 4.02 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 p -75.68 -21.49 57.58 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.615 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.8 t80 -83.24 -104.22 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 O-C-N 119.974 -1.704 . . . . 0.0 110.798 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' A' ' 44' ' ' PHE . 7.1 mp -14.86 147.09 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.77 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.496 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.521 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 44.5 t0 -91.23 104.16 16.75 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-N 124.912 3.505 . . . . 0.0 108.89 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 1.1 m -140.86 -44.83 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 120.637 -1.29 . . . . 0.0 109.44 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.449 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 48.2 mt-30 -78.32 -59.27 2.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.687 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' A' ' 49' ' ' LYS . 1.6 mptp? -49.74 -59.53 3.73 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.348 -0.845 . . . . 0.0 108.977 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 53' ' ' ALA . 97.0 m-20 -98.68 84.55 3.16 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 108.965 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.5 -26.37 12.86 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.13 -37.92 86.98 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.14 -38.61 80.09 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.091 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.52 -35.74 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.576 -1.327 . . . . 0.0 108.867 178.679 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.14 -39.96 86.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.174 -0.954 . . . . 0.0 110.766 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.925 -1.11 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.8 mt -67.65 -53.16 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' ASP . 24.6 ttt -60.04 -36.77 78.0 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.498 -0.751 . . . . 0.0 109.075 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.23 -48.86 80.03 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' OE2' ' C ' ' X' ' 12' ' ' SER . 96.0 mt-10 -60.23 -24.28 64.73 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.4 mt -91.57 -22.03 20.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.772 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.4 m-20 -74.49 44.46 0.21 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -60.32 -42.06 94.81 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.08 -19.32 58.67 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.88 34.92 51.88 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 107.443 -2.263 . . . . 0.0 107.443 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 32.4 p-10 -91.87 -8.98 44.96 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.647 -0.913 . . . . 0.0 111.644 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.94 88.13 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -136.2 176.6 8.55 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 t -125.95 127.72 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.761 -1.212 . . . . 0.0 108.697 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.2 t0 -95.97 152.96 18.04 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.502 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 32.0 t80 -48.96 -24.74 1.61 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.664 -0.648 . . . . 0.0 110.078 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 76' ' ' VAL . 79.1 mt-30 -74.48 -26.35 59.96 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.852 -1.155 . . . . 0.0 108.661 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ASP . 82.6 mt-10 -85.67 -45.52 11.61 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 109.958 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.32 -50.38 71.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.126 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.738 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.9 t -61.1 -38.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 72' ' ' GLN . 46.8 t -59.87 -39.75 80.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 120.817 -1.177 . . . . 0.0 108.721 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.708 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.1 tm? -63.22 -53.48 52.36 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 t -55.64 -38.07 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.848 -1.158 . . . . 0.0 109.204 -178.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.76 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -64.84 -37.92 89.25 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.389 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.44 -33.31 48.58 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.026 HD13 ' H ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -77.12 -39.33 49.79 Favored 'General case' 0 N--CA 1.515 2.783 0 O-C-N 118.835 -2.416 . . . . 0.0 109.37 -179.436 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . 1.026 ' H ' HD13 ' A' ' 81' ' ' LEU . 3.2 t -59.73 -43.14 94.33 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.238 -0.914 . . . . 0.0 110.835 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 8.6 m -59.93 -41.86 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.88 -28.17 69.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.0 t -67.92 -42.07 81.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.8 -40.62 88.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 108.756 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.39 -34.71 77.25 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.635 -0.666 . . . . 0.0 109.308 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 59.0 t80 -79.62 -9.46 59.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.392 -0.818 . . . . 0.0 110.195 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -94.21 -23.94 17.69 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.942 -1.099 . . . . 0.0 109.735 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 t90 . . . . . 0 N--CA 1.496 1.846 0 O-C-N 121.218 -0.926 . . . . 0.0 109.747 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.5 0.667 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -46.17 -55.14 7.48 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.497 -0.752 . . . . 0.0 110.377 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.425 HD11 HG11 ' A' ' 78' ' ' VAL . 56.4 tp -65.55 -42.0 92.37 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.238 -0.914 . . . . 0.0 109.067 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.04 -40.22 97.06 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.293 -0.88 . . . . 0.0 109.368 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.441 ' O ' ' OG1' ' B' ' 10' ' ' THR . 31.0 m -47.87 -44.52 29.39 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.223 1.011 . . . . 0.0 109.364 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.32 69.12 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.256 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ttt -69.98 -51.91 28.59 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.654 -1.279 . . . . 0.0 111.06 -177.066 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.29 -2.006 0 O-C-N 121.55 -0.718 . . . . 0.0 110.169 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -60.37 -56.19 24.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 110.487 -179.227 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.475 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.6 mp -57.78 -36.5 72.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 119.84 -1.788 . . . . 0.0 110.303 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.58 -39.6 84.28 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 120.97 -1.081 . . . . 0.0 112.688 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.12 -39.69 22.95 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.744 -1.847 . . . . 0.0 112.276 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.512 HG13 ' N ' ' B' ' 15' ' ' PHE . 10.7 p -59.97 -42.32 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.687 -1.258 . . . . 0.0 108.607 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.512 ' N ' HG13 ' B' ' 14' ' ' VAL . 27.1 t80 -61.94 -39.87 93.56 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -61.53 -39.12 89.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.738 -1.227 . . . . 0.0 110.442 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.93 -55.46 34.35 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -80.15 -43.19 22.06 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.022 -1.049 . . . . 0.0 111.515 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . 34.6 t -55.06 -28.69 54.17 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.69 11.62 25.44 Favored Glycine 0 N--CA 1.506 3.311 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.329 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' B' ' 23' ' ' GLY . 67.0 mttm -123.26 -74.65 0.61 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.896 1.348 . . . . 0.0 108.534 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.54 20.41 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.064 -1.023 . . . . 0.0 110.947 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -178.84 -164.02 30.95 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 118.317 -1.896 . . . . 0.0 112.106 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 19' ' ' SER . 96.0 m-20 -45.89 152.61 0.35 Allowed 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.605 0.717 . . . . 0.0 110.689 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -51.81 -54.18 31.71 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.476 -0.765 . . . . 0.0 111.91 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -131.13 31.44 4.42 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 120.759 -1.213 . . . . 0.0 112.206 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -132.3 142.12 49.24 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.892 -1.13 . . . . 0.0 108.305 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 tp -99.26 111.4 23.79 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.829 0.823 . . . . 0.0 109.942 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' LYS . 68.5 m -81.07 161.86 23.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.066 -1.646 . . . . 0.0 108.691 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 55.1 tttt -45.32 -30.13 1.21 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.823 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -82.79 -29.45 29.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.486 -1.383 . . . . 0.0 109.469 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.92 -41.66 74.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.815 -1.178 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.65 HD12 ' N ' ' B' ' 34' ' ' LYS . 2.4 pp -63.54 -45.36 90.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.172 -0.955 . . . . 0.0 110.036 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.65 ' N ' HD12 ' B' ' 33' ' ' LEU . 78.2 tttt -62.51 -39.78 94.62 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 120.851 -1.156 . . . . 0.0 111.782 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.421 ' OD1' ' OG1' ' B' ' 39' ' ' THR . 57.0 t0 -72.05 -38.99 69.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.95 -1.094 . . . . 0.0 110.63 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.417 HD11 HG22 ' B' ' 14' ' ' VAL . 62.8 tp -61.82 -51.76 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.713 0.768 . . . . 0.0 110.348 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.7 mm? -70.18 -40.02 74.92 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.893 0.854 . . . . 0.0 110.385 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.509 ' O ' ' CA ' ' B' ' 42' ' ' SER . 6.3 tt0 -66.86 -40.65 87.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.506 -0.746 . . . . 0.0 112.527 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.421 ' OG1' ' OD1' ' B' ' 35' ' ' ASP . 92.0 m -59.42 -50.53 73.6 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.945 -1.097 . . . . 0.0 112.746 -174.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -94.36 -13.58 26.23 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.618 -1.301 . . . . 0.0 110.503 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.439 HD13 HD13 ' B' ' 45' ' ' LEU . 68.1 mt -131.33 34.44 3.98 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.509 ' CA ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -51.21 -58.55 5.86 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.571 0.701 . . . . 0.0 110.648 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -76.59 -19.94 57.32 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' B' ' 44' ' ' PHE . 1.8 t80 -85.25 -90.81 0.1 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.125 -1.609 . . . . 0.0 112.419 -177.352 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.439 HD13 HD13 ' B' ' 41' ' ' LEU . 6.1 mp -38.6 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.035 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 41.5 t0 -90.82 102.82 15.58 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 123.01 2.641 . . . . 0.0 108.522 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 1.4 m -139.88 -44.57 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.842 -1.161 . . . . 0.0 109.213 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 46.0 mt-30 -79.07 -59.87 2.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.255 -0.903 . . . . 0.0 109.732 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.1 mptp? -49.63 -59.56 3.67 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.379 -0.826 . . . . 0.0 108.852 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -98.09 86.54 3.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.942 . . . . 0.0 108.952 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.9 -26.95 27.51 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.22 -38.95 88.46 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -58.21 -40.02 80.51 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.978 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.481 HG22 HD11 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.93 -35.43 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.341 -1.474 . . . . 0.0 108.962 179.268 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 94.4 m-20 -67.25 -39.8 86.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.25 -0.906 . . . . 0.0 110.965 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.85 -39.62 76.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.826 -1.171 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.0 mt -68.29 -53.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 110.394 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.469 ' O ' ' N ' ' B' ' 62' ' ' ASP . 24.4 ttt -60.07 -36.59 77.71 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -58.9 -48.99 79.48 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.9 -22.67 64.55 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.26 -0.9 . . . . 0.0 108.696 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' B' ' 63' ' ' GLU . 28.0 mt -92.38 -23.01 19.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.464 -0.772 . . . . 0.0 109.516 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -73.55 43.35 0.14 Allowed 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -59.89 -41.83 92.48 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -75.89 -19.73 58.6 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.47 35.4 52.1 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -91.42 -9.53 44.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.561 -0.964 . . . . 0.0 111.546 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.16 7.47 88.44 Favored Glycine 0 N--CA 1.497 2.717 0 N-CA-C 109.954 -1.259 . . . . 0.0 109.954 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -136.85 176.67 8.49 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -126.09 127.5 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 108.855 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 43.6 t0 -96.05 152.81 18.19 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.867 0.841 . . . . 0.0 108.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.519 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 29.5 t80 -48.71 -25.08 1.62 Allowed 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.573 -0.705 . . . . 0.0 110.258 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 76' ' ' VAL . 78.2 mt-30 -75.2 -25.03 57.9 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.761 -1.212 . . . . 0.0 108.54 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.3 mt-10 -86.17 -46.02 10.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.011 0.91 . . . . 0.0 109.727 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.41 -51.19 69.76 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.141 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.76 HG12 ' HB1' ' A' ' 79' ' ' ALA . 56.0 t -60.56 -38.12 77.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.289 -0.882 . . . . 0.0 110.012 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.4 t -60.17 -39.44 80.59 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.821 -1.174 . . . . 0.0 109.184 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.69 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.2 tm? -63.37 -54.03 43.29 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.244 -0.91 . . . . 0.0 112.395 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.519 ' O ' HG22 ' B' ' 82' ' ' THR . 1.5 t -54.9 -39.03 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.948 -1.095 . . . . 0.0 109.499 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.738 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -64.38 -38.66 91.8 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.071 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.19 -34.0 56.26 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 1.018 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -76.89 -38.88 52.76 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.811 -2.43 . . . . 0.0 109.743 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . 1.018 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.4 t -60.07 -42.0 93.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.469 -0.769 . . . . 0.0 110.85 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 12.8 m -60.78 -42.19 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.425 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.43 -29.11 70.17 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.76 -41.55 87.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.558 -0.714 . . . . 0.0 109.763 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.24 -40.38 90.06 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.187 -0.946 . . . . 0.0 108.833 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.0 -34.77 78.27 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.642 0.734 . . . . 0.0 109.299 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 56.8 t80 -79.08 -10.06 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.368 -0.832 . . . . 0.0 110.294 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -93.8 -24.33 17.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.951 -1.093 . . . . 0.0 109.75 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 t90 . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.15 -0.969 . . . . 0.0 109.735 -179.569 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' X' ' 7' ' ' TRP . 43.2 pt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.661 0.267 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' X' X ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 4.7 p-10 41.99 17.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.115 -0.99 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.61 ' O ' HG22 ' X' ' 10' ' ' ILE . 31.9 t90 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.566 -1.334 . . . . 0.0 109.98 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.672 ' OD1' HD11 ' A' ' 81' ' ' LEU . 33.3 t-20 -51.26 -29.88 16.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.458 -1.402 . . . . 0.0 108.629 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.433 ' O ' ' OXT' ' X' ' 12' ' ' SER . 73.6 tttt -60.0 -30.23 69.0 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.61 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.4 tt -49.01 -38.44 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 30.9 tp -67.84 -42.02 82.06 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.296 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.433 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 8.9 t . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.5 2.072 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -139.76 18.54 2.5 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.7 ' O ' HG22 ' Y' ' 10' ' ' ILE . 2.0 p-90 -60.49 -43.51 96.92 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.269 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 19.8 t30 -51.37 -39.69 57.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 119.726 -1.859 . . . . 0.0 108.894 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -60.2 -22.96 63.61 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.7 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -52.55 -36.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.39 -40.07 89.43 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.765 -179.437 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.801 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -74.26 157.19 36.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.249 -1.148 . . . . 0.0 109.379 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -45.48 -51.81 11.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.171 -0.956 . . . . 0.0 110.817 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.7 tt -68.73 -40.21 80.0 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.914 -1.116 . . . . 0.0 108.957 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.18 -39.32 86.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -0.977 . . . . 0.0 108.999 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 10' ' ' THR . 79.2 m -56.29 -49.52 74.03 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.89 0.852 . . . . 0.0 110.177 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -28.35 69.25 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.019 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -70.12 -50.09 44.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.676 -1.265 . . . . 0.0 110.364 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.9 -28.29 65.5 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.499 -0.75 . . . . 0.0 110.239 -177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.39 -59.85 4.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.997 -1.064 . . . . 0.0 108.942 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -47.19 -39.46 13.97 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.328 -1.483 . . . . 0.0 109.289 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -69.14 -24.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.229 -0.919 . . . . 0.0 110.406 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 10' ' ' THR . 95.5 m-20 -79.58 -54.21 6.11 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.003 -1.061 . . . . 0.0 112.588 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.2 p -65.87 -46.49 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.546 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.8 t80 -60.62 -40.15 90.82 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 121.352 -0.842 . . . . 0.0 109.835 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.576 -1.327 . . . . 0.0 109.722 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.01 -56.8 17.39 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.32 -40.18 64.68 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.926 -1.109 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 24' ' ' ASP . 26.2 p -67.67 -22.89 65.27 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.33 0.93 40.27 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.694 -1.254 . . . . 0.0 112.359 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.579 ' C ' ' H ' ' A' ' 23' ' ' GLY . 56.1 mtmt -124.4 -67.0 0.94 Allowed 'General case' 0 N--CA 1.502 2.125 0 CA-C-N 119.052 1.426 . . . . 0.0 109.407 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.2 17.73 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.116 -0.99 . . . . 0.0 109.96 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.579 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 178.39 -172.73 45.18 Favored Glycine 0 N--CA 1.487 2.07 0 C-N-CA 119.081 -1.533 . . . . 0.0 111.449 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 39.8 t0 -38.78 154.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 69.8 mttt -59.95 -48.12 83.01 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 113.052 -176.368 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -122.71 29.75 6.73 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 120.289 -1.507 . . . . 0.0 111.939 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -139.64 147.96 41.77 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.625 -1.297 . . . . 0.0 110.153 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 15' ' ' PHE . 3.4 tp -92.85 153.98 18.51 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.846 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.598 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.8 t -128.38 156.21 43.49 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' SER . 23.4 tptm -43.17 -35.45 1.38 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.669 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -83.29 -27.2 29.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.083 -1.636 . . . . 0.0 110.697 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.598 ' HB2' ' H ' ' A' ' 29' ' ' SER . 52.4 mt-10 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.828 -1.17 . . . . 0.0 110.059 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -62.09 -43.26 99.22 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.775 -1.203 . . . . 0.0 108.837 178.464 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HZ3' ' HB3' ' A' ' 48' ' ' GLN . 5.2 tmtt? -57.65 -45.1 85.93 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.93 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -76.53 -28.88 56.51 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.905 -1.122 . . . . 0.0 110.922 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD11 HG22 ' A' ' 14' ' ' VAL . 57.6 tp -62.26 -50.11 73.01 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.774 -1.203 . . . . 0.0 110.141 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 37' ' ' LEU . 10.8 mp -77.45 -40.64 42.57 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.162 0.982 . . . . 0.0 111.864 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -67.74 -40.0 84.18 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 122.042 0.925 . . . . 0.0 110.072 -177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.5 m -60.38 -49.96 75.5 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.271 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -101.58 -21.25 14.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.201 -0.937 . . . . 0.0 111.972 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.64 HD13 HD23 ' A' ' 45' ' ' LEU . 89.5 mt -133.62 64.16 1.61 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.864 -1.148 . . . . 0.0 110.44 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 p -74.21 -42.56 59.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.282 -0.886 . . . . 0.0 109.911 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 59.5 p -70.76 -41.58 71.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.3 -0.875 . . . . 0.0 112.016 -178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.598 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 t80 -88.18 -107.47 0.07 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.555 -1.341 . . . . 0.0 111.09 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.64 HD23 HD13 ' A' ' 41' ' ' LEU . 3.2 mm? -7.13 128.49 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.542 0 CA-C-O 114.834 -2.508 . . . . 0.0 108.853 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 1.3 m-20 -91.3 118.73 30.75 Favored 'General case' 0 N--CA 1.517 2.919 1 CA-C-N 128.002 4.91 . . . . 0.0 110.051 178.239 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG23 ' N ' ' A' ' 48' ' ' GLN . 10.7 m -146.37 -41.2 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.315 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.506 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 17.2 pt20 -98.39 -40.33 8.35 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.049 -1.032 . . . . 0.0 111.433 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' A' ' 43' ' ' SER . 51.7 mtmt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.227 -0.921 . . . . 0.0 109.245 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -139.72 86.67 2.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.602 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -30.06 39.44 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -40.1 88.21 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.12 -41.22 96.32 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 118.806 -1.157 . . . . 0.0 109.598 -178.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -36.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.862 -1.149 . . . . 0.0 109.209 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -68.83 -40.02 79.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.023 -1.048 . . . . 0.0 111.272 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.95 -40.12 91.06 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.471 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.7 -53.52 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.562 -0.711 . . . . 0.0 111.274 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.97 81.76 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 110.964 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.9 90.65 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -65.5 -26.92 68.12 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.5 mt -85.27 -33.1 22.23 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.372 -0.83 . . . . 0.0 109.567 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -69.96 57.88 0.15 Allowed 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' LEU . 45.7 mt-10 -60.13 -39.72 87.28 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -70.41 -23.79 62.81 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.79 40.97 7.41 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 33.3 p-10 -99.02 -122.08 0.14 Allowed 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.635 1.217 . . . . 0.0 108.167 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -157.16 21.48 0.43 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -136.22 176.56 8.58 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.78 137.54 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.528 -1.358 . . . . 0.0 108.917 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 34.3 t0 -97.6 167.99 10.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.364 -0.835 . . . . 0.0 109.734 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.607 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.2 t80 -59.94 -35.48 75.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.595 -0.69 . . . . 0.0 109.414 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.532 ' HA ' HG11 ' B' ' 83' ' ' VAL . 62.8 tt0 -70.04 -24.22 63.23 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.861 -1.15 . . . . 0.0 109.904 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.499 ' O ' HD22 ' A' ' 61' ' ' LEU . 49.1 mt-10 -83.59 -53.63 5.52 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.552 -0.718 . . . . 0.0 110.574 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -32.47 65.98 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.191 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.9 t -60.04 -39.7 81.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 120.98 -1.075 . . . . 0.0 108.558 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -59.79 -40.08 81.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.412 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.713 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.2 tm? -62.49 -50.03 73.05 Favored 'General case' 0 N--CA 1.509 2.485 0 O-C-N 121.507 -0.746 . . . . 0.0 112.862 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 m -59.95 -32.92 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 120.176 -1.578 . . . . 0.0 109.853 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.89 -39.34 79.79 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.766 0.793 . . . . 0.0 110.022 178.053 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.49 -23.92 56.84 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.243 -0.91 . . . . 0.0 112.767 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.672 HD11 ' OD1' ' X' ' 8' ' ' ASN . 1.0 OUTLIER -84.41 -41.56 16.55 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 119.812 -1.805 . . . . 0.0 109.977 -179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 83' ' ' VAL . 1.7 t -52.91 -47.18 68.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.756 -1.215 . . . . 0.0 109.178 178.221 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.539 HG12 ' CD2' ' B' ' 71' ' ' PHE . 13.8 m -59.89 -40.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.208 -0.933 . . . . 0.0 110.051 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' CZ2' ' X' ' 7' ' ' TRP . . . -60.23 -25.57 65.74 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -69.94 -38.83 76.3 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 108.945 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.419 ' OD1' ' CE2' ' B' ' 71' ' ' PHE . 22.5 m120 -59.93 -36.3 76.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -59.99 -38.93 84.01 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.65 36.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.348 -0.845 . . . . 0.0 109.224 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.512 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 62.2 t80 -79.53 -10.96 59.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.938 -1.101 . . . . 0.0 109.193 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.946 . . . . 0.0 108.475 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -45.86 -51.57 12.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.531 HD23 ' O ' ' B' ' 4' ' ' LEU . 2.7 tt -68.74 -40.03 80.05 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.898 -1.126 . . . . 0.0 109.066 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.16 -39.35 86.08 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.095 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 10' ' ' THR . 82.9 m -56.24 -49.45 74.13 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.804 0.811 . . . . 0.0 110.166 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.2 69.13 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.135 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.33 -50.23 41.29 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.661 -1.274 . . . . 0.0 110.498 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.84 -28.52 65.75 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.15 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -62.05 -59.99 4.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.996 -1.065 . . . . 0.0 109.076 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' B' ' 10' ' ' THR . 9.1 mp -47.09 -39.71 13.77 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.185 -1.572 . . . . 0.0 109.295 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.97 -24.87 28.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.193 -0.942 . . . . 0.0 110.497 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 10' ' ' THR . 95.4 m-20 -79.63 -54.1 6.21 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.971 -1.08 . . . . 0.0 112.575 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.551 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.1 p -65.78 -46.54 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.411 -0.806 . . . . 0.0 110.914 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.551 ' N ' HG13 ' B' ' 14' ' ' VAL . 1.6 t80 -60.69 -40.1 90.92 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.418 -0.801 . . . . 0.0 109.94 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.18 -39.65 87.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.478 -1.389 . . . . 0.0 109.672 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.0 14.76 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.13 -40.56 64.82 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.889 -1.132 . . . . 0.0 110.783 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.462 ' O ' ' O ' ' B' ' 24' ' ' ASP . 32.0 p -67.21 -22.96 65.69 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.31 0.91 40.33 Favored Glycine 0 N--CA 1.506 3.347 0 O-C-N 120.773 -1.204 . . . . 0.0 112.38 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.566 ' C ' ' H ' ' B' ' 23' ' ' GLY . 55.6 mtmt -124.41 -67.0 0.94 Allowed 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 119.087 1.444 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.96 17.25 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.119 -0.988 . . . . 0.0 109.919 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 178.73 -172.54 44.85 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.153 -1.499 . . . . 0.0 111.459 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 40.0 t0 -38.99 154.5 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.271 0.558 . . . . 0.0 109.733 -179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.537 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 69.5 mttt -59.9 -48.11 83.04 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 113.037 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.59 29.53 6.86 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.226 -1.546 . . . . 0.0 112.078 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -139.4 147.48 41.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.593 -1.317 . . . . 0.0 110.184 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.2 tp -92.31 154.0 18.86 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.86 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.597 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.2 t -128.44 156.19 43.59 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -43.11 -35.43 1.33 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.063 -1.023 . . . . 0.0 111.767 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -83.06 -27.57 30.17 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.109 -1.619 . . . . 0.0 110.727 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.597 ' HB2' ' H ' ' B' ' 29' ' ' SER . 53.0 mt-10 -70.87 -40.35 72.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.736 -1.228 . . . . 0.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -62.34 -42.92 99.78 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.712 -1.243 . . . . 0.0 108.939 178.45 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.522 ' HZ3' ' HB3' ' B' ' 48' ' ' GLN . 4.1 tmtt? -57.32 -45.51 84.16 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.862 -176.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.1 m-20 -76.42 -28.93 56.82 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.922 -1.111 . . . . 0.0 110.98 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.27 -49.97 73.56 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.813 -1.18 . . . . 0.0 110.141 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.526 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.9 mp -77.6 -40.65 41.36 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.114 0.959 . . . . 0.0 111.822 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -67.69 -40.02 84.39 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 122.179 0.99 . . . . 0.0 110.083 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 73.9 m -60.53 -49.86 75.86 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.684 -0.806 . . . . 0.0 111.253 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -101.55 -21.03 14.83 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.132 -0.98 . . . . 0.0 111.983 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.616 HD13 HD23 ' B' ' 45' ' ' LEU . 88.4 mt -133.76 63.95 1.62 Allowed 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.786 -1.196 . . . . 0.0 110.454 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.5 p -74.04 -42.4 60.32 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.204 -0.935 . . . . 0.0 109.937 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.3 p -71.23 -40.62 70.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.117 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.5 t80 -89.4 -94.5 0.11 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.796 -1.19 . . . . 0.0 112.232 -178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.616 HD23 HD13 ' B' ' 41' ' ' LEU . 2.5 mm? -29.84 136.17 0.04 OUTLIER 'General case' 0 N--CA 1.52 3.038 0 CA-C-O 116.898 -1.525 . . . . 0.0 107.615 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 2.7 m-20 -91.24 117.68 29.84 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 124.894 3.497 . . . . 0.0 109.661 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 48' ' ' GLN . 11.1 m -146.87 -40.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.104 -0.997 . . . . 0.0 110.149 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.522 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 17.2 pt20 -98.46 -40.23 8.37 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.02 -1.05 . . . . 0.0 111.432 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -62.18 -27.41 68.95 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 109.197 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -139.7 86.79 2.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -29.94 38.96 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.97 -39.85 87.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.86 -42.81 98.6 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 118.866 -1.134 . . . . 0.0 109.121 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -36.01 64.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 120.761 -1.212 . . . . 0.0 109.384 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -68.84 -40.03 79.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.876 -1.14 . . . . 0.0 111.257 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -66.02 -39.99 90.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.929 -1.107 . . . . 0.0 110.536 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.405 HG12 HD21 ' Y' ' 8' ' ' ASN . 1.6 mp -70.95 -53.39 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.6 -0.688 . . . . 0.0 111.098 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.905 -1.122 . . . . 0.0 111.051 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.67 90.3 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -66.58 -24.49 66.35 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 63' ' ' GLU . 49.4 mt -87.15 -33.18 19.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -69.91 57.73 0.15 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' B' ' 61' ' ' LEU . 45.4 mt-10 -59.8 -40.01 86.89 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -70.29 -24.02 62.96 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.07 40.87 7.32 Favored Glycine 0 N--CA 1.482 1.756 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' B' ' 67' ' ' GLY . 33.5 p-10 -99.06 -122.46 0.15 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 118.603 1.202 . . . . 0.0 108.21 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 66' ' ' ASP . . . -156.74 21.64 0.46 Allowed Glycine 0 N--CA 1.498 2.82 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.24 176.53 8.61 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.46 137.85 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.489 -1.382 . . . . 0.0 108.964 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 33.7 t0 -97.86 167.92 10.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 109.68 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.614 ' O ' HG23 ' B' ' 75' ' ' VAL . 43.3 t80 -59.97 -35.42 74.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.478 -0.764 . . . . 0.0 109.452 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.524 ' HA ' HG11 ' A' ' 83' ' ' VAL . 62.9 tt0 -70.07 -24.19 63.2 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.941 -1.099 . . . . 0.0 109.854 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.503 ' O ' HD22 ' B' ' 61' ' ' LEU . 49.2 mt-10 -83.68 -53.83 5.36 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.503 -0.748 . . . . 0.0 110.396 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -32.4 66.01 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.091 -1.005 . . . . 0.0 111.187 -178.198 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 71' ' ' PHE . 54.3 t -59.79 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 121.042 -1.036 . . . . 0.0 108.445 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.0 t -59.8 -39.9 81.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 C-N-CA 119.041 -1.063 . . . . 0.0 108.403 178.437 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.712 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.2 tm? -62.42 -50.11 72.79 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 121.481 -0.762 . . . . 0.0 112.937 -178.457 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.0 -33.1 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.231 -1.543 . . . . 0.0 109.779 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -69.0 -39.3 79.41 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.719 0.771 . . . . 0.0 110.056 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -75.29 -23.83 57.43 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 112.653 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.595 ' CD2' HD13 ' B' ' 45' ' ' LEU . 1.0 OUTLIER -85.04 -41.19 16.01 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 119.838 -1.789 . . . . 0.0 109.839 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.412 HG23 ' N ' ' B' ' 83' ' ' VAL . 1.7 t -52.93 -46.98 68.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.644 -1.285 . . . . 0.0 109.161 178.111 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 71' ' ' PHE . 13.4 m -60.05 -40.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.163 -0.96 . . . . 0.0 110.234 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.518 ' HB3' ' CZ3' ' Y' ' 7' ' ' TRP . . . -60.28 -25.54 65.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 108.922 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.37 -38.52 74.76 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.659 -0.817 . . . . 0.0 108.963 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.449 ' OD1' ' CE2' ' A' ' 71' ' ' PHE . 22.4 m120 -59.77 -36.21 76.21 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.01 -38.88 83.96 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.52 36.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.509 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 63.8 t80 -79.67 -10.97 59.87 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.946 -1.096 . . . . 0.0 109.125 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 108.466 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.557 HG23 ' O ' ' X' ' 5' ' ' ILE . 14.6 tt . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 122.027 0.918 . . . . 0.0 108.65 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -90.71 1.03 57.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.589 -1.32 . . . . 0.0 108.415 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.673 ' O ' HG22 ' X' ' 10' ' ' ILE . 62.5 t90 -59.93 -50.05 75.27 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.574 -0.704 . . . . 0.0 110.357 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' X' ' 5' ' ' ILE . 6.6 p30 -51.29 -37.31 46.71 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.017 -1.677 . . . . 0.0 108.73 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' X' ' 12' ' ' SER . 50.7 tttp -59.06 -24.2 62.68 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.673 HG22 ' O ' ' X' ' 7' ' ' TRP . 10.0 tt -51.12 -35.52 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 tp -66.96 -40.03 87.4 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.43 ' N ' ' O ' ' X' ' 9' ' ' LYS . 6.4 t . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 118.132 -0.937 . . . . 0.0 109.338 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.505 ' O ' HG23 ' Y' ' 5' ' ' ILE . 8.1 tt . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 121.309 0.576 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -129.09 4.14 5.28 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.678 ' O ' HG22 ' Y' ' 10' ' ' ILE . 65.9 t90 -59.95 -50.0 75.45 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.138 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -51.1 -38.01 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 119.917 -1.739 . . . . 0.0 108.647 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -58.19 -23.21 54.71 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.678 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -53.47 -38.79 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 30.2 tp -62.09 -43.43 98.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.501 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.555 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.815 0 N-CA-C 119.481 2.552 . . . . 0.0 119.481 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -65.05 32.72 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.18 -1.188 . . . . 0.0 110.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 1' ' ' GLY . 81.3 mt-10 -59.93 -43.55 94.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.963 -1.086 . . . . 0.0 109.927 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.98 -46.24 90.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.839 -1.163 . . . . 0.0 108.994 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.64 -39.78 92.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.161 -0.962 . . . . 0.0 109.921 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -54.27 -41.67 69.09 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.025 0.917 . . . . 0.0 109.386 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.97 68.78 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.7 mmm -77.3 -44.33 30.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.265 -1.522 . . . . 0.0 110.104 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -72.31 -29.98 64.35 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.381 -0.824 . . . . 0.0 110.797 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.5 t -70.29 -54.64 11.81 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.753 -1.217 . . . . 0.0 109.604 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -44.37 -39.77 4.89 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.312 -1.493 . . . . 0.0 107.754 177.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -62.65 -38.56 81.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.222 -0.924 . . . . 0.0 109.14 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' THR . 28.2 m120 -67.7 -54.13 21.98 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.973 -1.079 . . . . 0.0 112.663 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 15' ' ' PHE . 6.1 m -60.7 -49.6 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.776 -1.202 . . . . 0.0 110.611 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.617 ' N ' HG23 ' A' ' 14' ' ' VAL . 16.5 m-85 -60.92 -40.03 91.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.25 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 120.397 -1.44 . . . . 0.0 109.823 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -55.13 37.98 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.52 -41.31 21.87 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.812 -1.18 . . . . 0.0 111.668 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' ASP . 54.0 p -60.05 -29.53 68.6 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.01 9.4 43.23 Favored Glycine 0 N--CA 1.506 3.361 0 O-C-N 120.628 -1.295 . . . . 0.0 111.886 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 23' ' ' GLY . 96.3 mttt -122.29 -71.5 0.73 Allowed 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 118.799 1.3 . . . . 0.0 109.841 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -70.61 34.15 0.04 OUTLIER 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.855 -1.153 . . . . 0.0 109.536 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 168.45 -171.05 42.51 Favored Glycine 0 N--CA 1.488 2.102 0 C-N-CA 119.509 -1.329 . . . . 0.0 110.799 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 58.5 t0 -39.76 149.26 0.06 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 122.21 -0.582 . . . . 0.0 109.873 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 24.1 pttm -59.26 -38.71 80.76 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 77.3 t80 -134.56 34.29 3.22 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.004 -1.685 . . . . 0.0 111.097 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -142.31 147.94 37.19 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.389 1.09 . . . . 0.0 108.819 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.93 153.82 18.55 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.546 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 16.3 t -129.79 161.82 29.85 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' SER . 53.0 tptt -45.19 -35.29 3.17 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -85.1 -28.03 25.87 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.147 -1.595 . . . . 0.0 111.5 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.5 mt-10 -71.62 -39.94 70.12 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.251 -1.53 . . . . 0.0 110.401 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.0 pp -63.37 -45.79 89.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.999 -1.063 . . . . 0.0 109.942 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.611 ' N ' HD12 ' A' ' 33' ' ' LEU . 55.8 tttt -60.43 -40.05 89.68 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.702 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 59.5 t0 -76.47 -36.8 57.67 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.195 . . . . 0.0 111.809 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.88 -47.76 84.43 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 120.982 -1.073 . . . . 0.0 111.046 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 74' ' ' PHE . 82.0 mt -75.78 -40.63 54.85 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -66.05 -39.61 90.27 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.079 0.943 . . . . 0.0 111.885 -176.712 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 94.3 m -53.45 -44.23 68.71 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.6 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -102.25 -21.32 14.37 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.391 -0.818 . . . . 0.0 111.079 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.07 67.31 1.5 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.906 -1.121 . . . . 0.0 109.902 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -79.99 -24.27 40.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.182 -0.949 . . . . 0.0 110.025 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -85.05 -28.84 25.4 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.082 -1.011 . . . . 0.0 112.508 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' O ' ' C ' ' A' ' 45' ' ' LEU . 21.6 t80 -109.92 -110.14 0.33 Allowed 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.806 -1.184 . . . . 0.0 112.615 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -4.16 120.46 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.118 0 CA-C-O 115.374 -2.251 . . . . 0.0 109.973 177.481 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.698 ' O ' HG13 ' A' ' 47' ' ' VAL . 33.9 p-10 -75.67 141.18 42.8 Favored 'General case' 0 N--CA 1.51 2.539 1 CA-C-N 127.94 4.882 . . . . 0.0 112.759 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 46' ' ' ASP . 2.6 m -166.85 -53.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 49' ' ' LYS . 96.6 mt-30 -100.37 -71.43 0.7 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.836 -1.165 . . . . 0.0 113.096 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.535 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -31.83 -60.06 0.26 Allowed 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.114 -177.641 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -99.97 94.62 6.38 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.2 81.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.293 -0.879 . . . . 0.0 109.468 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -59.38 -37.61 78.4 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.69 97.72 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.39 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -34.7 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.493 -1.38 . . . . 0.0 108.503 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 56.0 t0 -60.81 -39.94 90.85 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.537 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -69.61 -40.09 76.84 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.044 -1.035 . . . . 0.0 110.93 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.03 -55.72 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.218 -0.927 . . . . 0.0 110.571 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.05 -36.77 78.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.485 -0.759 . . . . 0.0 109.463 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -60.06 -46.1 90.65 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.02 -23.11 63.43 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 63' ' ' GLU . 47.1 mt -92.55 -26.74 17.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 70.2 m-20 -74.92 49.98 0.44 Allowed 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 61' ' ' LEU . 41.1 mt-10 -60.06 -40.77 90.62 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.429 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -74.52 -23.31 58.8 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.79 40.45 14.73 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.886 -2.085 . . . . 0.0 107.886 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -98.73 -7.96 26.84 Favored 'General case' 0 N--CA 1.512 2.626 0 O-C-N 121.495 -1.003 . . . . 0.0 111.924 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.12 7.42 88.47 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 120.883 -1.136 . . . . 0.0 110.473 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -133.55 176.26 8.7 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.13 135.04 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.489 -1.382 . . . . 0.0 108.591 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -95.97 167.22 11.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.969 . . . . 0.0 109.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.599 ' O ' HG23 ' A' ' 75' ' ' VAL . 39.2 t80 -59.99 -31.28 69.76 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.565 ' HA ' HG11 ' B' ' 83' ' ' VAL . 63.5 tt0 -72.48 -25.21 61.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.862 -1.149 . . . . 0.0 110.312 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' O ' HD22 ' A' ' 61' ' ' LEU . 76.2 mt-10 -81.04 -52.35 7.5 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.425 -0.797 . . . . 0.0 110.205 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.654 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -75.07 -32.38 61.47 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.714 -178.111 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.736 HG12 ' HB1' ' B' ' 79' ' ' ALA . 43.6 t -57.96 -39.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 72' ' ' GLN . 67.2 t -59.98 -40.01 81.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.28 -0.887 . . . . 0.0 109.119 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.696 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.2 tm? -62.51 -54.12 44.69 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.269 -0.895 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -51.42 -34.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.299 -1.501 . . . . 0.0 108.993 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.719 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -65.36 -39.12 91.92 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.722 0.772 . . . . 0.0 109.433 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.73 -30.52 51.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD12 HD11 ' A' ' 77' ' ' LEU . 55.2 mt -78.28 -43.04 29.17 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 119.244 -2.16 . . . . 0.0 110.625 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.563 HG23 ' N ' ' A' ' 83' ' ' VAL . 6.9 t -58.46 -43.27 88.82 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.055 -1.028 . . . . 0.0 110.99 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.563 ' N ' HG23 ' A' ' 82' ' ' THR . 11.5 m -59.7 -40.1 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.065 -1.022 . . . . 0.0 109.1 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -62.61 -25.7 68.23 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.91 -42.94 47.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.387 -0.821 . . . . 0.0 110.632 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.96 -46.74 88.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.141 -0.974 . . . . 0.0 110.096 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.12 -0.988 . . . . 0.0 109.754 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 67.2 t80 -86.43 -2.64 58.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.387 -0.821 . . . . 0.0 109.791 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -85.24 -29.49 24.6 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 95.6 m95 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.283 -0.886 . . . . 0.0 110.485 -178.834 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 120.974 0.416 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -60.04 -43.34 95.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.009 -1.057 . . . . 0.0 109.95 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.08 -46.34 89.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.919 -1.113 . . . . 0.0 108.933 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.55 -39.86 92.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.113 -0.992 . . . . 0.0 109.959 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -54.22 -41.66 68.93 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.097 0.951 . . . . 0.0 109.361 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.44 -29.6 68.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.5 mmm -77.67 -44.11 29.13 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.253 -1.529 . . . . 0.0 110.13 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.55 -29.95 64.01 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.346 -0.846 . . . . 0.0 110.665 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.5 t -70.17 -54.7 11.73 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.812 -1.18 . . . . 0.0 109.643 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.2 mp -44.43 -39.66 4.9 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.529 -1.357 . . . . 0.0 107.692 177.829 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.81 -38.34 81.53 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 109.124 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 10' ' ' THR . 28.1 m120 -67.82 -54.1 21.7 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.039 -1.038 . . . . 0.0 112.678 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.616 HG23 ' N ' ' B' ' 15' ' ' PHE . 6.9 m -60.66 -49.55 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.788 -1.195 . . . . 0.0 110.656 -178.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.616 ' N ' HG23 ' B' ' 14' ' ' VAL . 16.8 m-85 -60.91 -40.07 91.75 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.314 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -40.01 87.63 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.382 -1.448 . . . . 0.0 109.845 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -55.05 38.75 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -81.46 -41.37 21.89 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.859 -1.151 . . . . 0.0 111.612 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 24' ' ' ASP . 54.0 p -60.04 -29.62 68.64 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.08 9.58 43.11 Favored Glycine 0 N--CA 1.505 3.242 0 O-C-N 120.516 -1.365 . . . . 0.0 111.878 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' B' ' 23' ' ' GLY . 96.2 mttt -122.42 -71.57 0.72 Allowed 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 118.761 1.28 . . . . 0.0 109.804 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -70.49 34.05 0.04 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.799 -1.188 . . . . 0.0 109.638 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 168.64 -170.91 42.54 Favored Glycine 0 N--CA 1.488 2.107 0 C-N-CA 119.575 -1.298 . . . . 0.0 110.781 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 58.0 t0 -39.78 149.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 122.156 -0.614 . . . . 0.0 109.808 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 24.7 pttm -59.46 -38.81 81.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 76.5 t80 -134.18 34.06 3.33 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.026 -1.671 . . . . 0.0 111.13 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -142.31 147.75 36.88 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 122.366 1.079 . . . . 0.0 108.868 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.94 153.84 18.53 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.565 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.1 t -129.95 161.87 29.91 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -45.1 -35.34 3.04 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -85.1 -27.97 25.91 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.099 -1.626 . . . . 0.0 111.374 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.565 ' HB2' ' H ' ' B' ' 29' ' ' SER . 48.9 mt-10 -71.6 -39.95 70.15 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.166 -1.584 . . . . 0.0 110.377 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.595 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.9 pp -63.43 -45.72 89.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.934 -1.104 . . . . 0.0 109.979 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.595 ' N ' HD12 ' B' ' 33' ' ' LEU . 55.2 tttt -60.46 -39.96 89.47 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 59.5 t0 -76.66 -36.72 57.17 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.855 -1.153 . . . . 0.0 111.821 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.05 -47.63 85.08 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 120.849 -1.157 . . . . 0.0 111.013 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' B' ' 74' ' ' PHE . 80.5 mt -75.85 -40.69 54.25 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -177.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' B' ' 39' ' ' THR . 0.0 OUTLIER -65.9 -39.64 90.8 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.103 0.954 . . . . 0.0 111.846 -176.67 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.5 m -53.6 -44.22 69.23 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.507 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 1' ' ' GLY . 93.0 mt-10 -102.15 -21.36 14.42 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.389 -0.819 . . . . 0.0 111.051 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 mt -135.02 67.1 1.51 Allowed 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.929 -1.107 . . . . 0.0 109.925 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -79.95 -24.25 41.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.268 -0.895 . . . . 0.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 71.1 m -85.21 -28.86 25.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.982 -1.074 . . . . 0.0 112.471 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.576 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.6 t80 -109.91 -95.91 0.41 Allowed 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.542 HD23 HD13 ' B' ' 37' ' ' LEU . 0.9 OUTLIER -28.9 128.74 0.08 Allowed 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 117.123 -1.417 . . . . 0.0 109.317 -174.534 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.676 ' O ' HG13 ' B' ' 47' ' ' VAL . 33.7 p-10 -76.04 139.59 41.51 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 124.965 3.53 . . . . 0.0 112.444 -177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 46' ' ' ASP . 2.4 m -166.23 -52.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' B' ' 49' ' ' LYS . 96.6 mt-30 -100.33 -71.64 0.7 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.52 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -31.75 -60.24 0.25 Allowed 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.645 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -99.76 94.62 6.43 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -38.37 82.51 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.229 -0.919 . . . . 0.0 109.442 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.43 -37.63 78.58 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.36 93.13 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.129 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -34.79 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.525 -1.359 . . . . 0.0 108.575 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 56.5 t0 -60.74 -39.89 90.37 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 121.036 -1.04 . . . . 0.0 109.644 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -69.45 -40.13 77.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 110.975 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.0 -55.71 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.255 -0.903 . . . . 0.0 110.648 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.97 -36.8 77.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.49 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -59.99 -46.62 88.86 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.99 -21.43 61.26 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' B' ' 63' ' ' GLU . 49.1 mt -94.36 -26.57 16.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.71 -0.619 . . . . 0.0 110.252 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 71.1 m-20 -75.09 49.92 0.46 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' LEU . 41.2 mt-10 -60.05 -40.84 90.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.428 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.47 -23.37 58.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.85 40.48 14.49 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.918 -2.073 . . . . 0.0 107.918 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -98.76 -8.08 26.56 Favored 'General case' 0 N--CA 1.511 2.596 0 O-C-N 121.497 -1.002 . . . . 0.0 111.917 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.91 8.11 88.0 Favored Glycine 0 N--CA 1.502 3.042 0 O-C-N 121.008 -1.058 . . . . 0.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -134.11 176.27 8.73 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.18 135.14 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.51 -1.369 . . . . 0.0 108.546 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -95.89 167.2 11.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.596 ' O ' HG23 ' B' ' 75' ' ' VAL . 39.2 t80 -59.98 -31.18 69.66 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.561 ' HA ' HG11 ' A' ' 83' ' ' VAL . 63.6 tt0 -72.7 -25.1 61.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.873 -1.142 . . . . 0.0 110.276 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.416 ' O ' HD22 ' B' ' 61' ' ' LEU . 76.5 mt-10 -81.24 -52.28 7.5 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.373 -0.829 . . . . 0.0 110.157 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' B' ' 37' ' ' LEU . 0.9 OUTLIER -75.04 -32.33 61.53 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.99 -1.084 . . . . 0.0 111.701 -178.164 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.719 HG12 ' HB1' ' A' ' 79' ' ' ALA . 41.9 t -57.95 -39.59 72.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 72' ' ' GLN . 69.8 t -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.136 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.691 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.2 tm? -62.63 -54.08 44.91 Favored 'General case' 0 N--CA 1.511 2.6 0 O-C-N 121.318 -0.863 . . . . 0.0 112.43 -178.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -51.36 -34.08 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 120.271 -1.518 . . . . 0.0 109.032 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.736 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -65.36 -39.55 92.46 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.632 0.729 . . . . 0.0 109.356 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.64 54.09 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.556 HD12 HD11 ' B' ' 77' ' ' LEU . 55.4 mt -78.3 -42.95 29.27 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 119.237 -2.164 . . . . 0.0 110.689 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.567 HG23 ' N ' ' B' ' 83' ' ' VAL . 6.6 t -58.62 -43.3 89.6 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.993 -1.067 . . . . 0.0 110.961 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.567 ' N ' HG23 ' B' ' 82' ' ' THR . 10.7 m -59.59 -39.97 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.086 -1.009 . . . . 0.0 109.204 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.418 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -62.92 -25.59 68.4 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.85 -42.8 48.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.646 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -60.05 -46.76 88.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.059 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.01 -39.99 87.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 67.1 t80 -86.45 -2.73 58.7 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.84 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -85.16 -29.46 24.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.941 . . . . 0.0 109.719 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 95.4 m95 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.259 -0.9 . . . . 0.0 110.516 -178.851 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.941 0.877 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -129.36 5.84 5.25 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.702 ' O ' HG22 ' X' ' 10' ' ' ILE . 77.0 t90 -60.1 -49.24 78.43 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.128 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' X' ' 7' ' ' TRP . 49.5 t30 -50.02 -35.46 24.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 119.877 -1.765 . . . . 0.0 108.748 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' X' ' 12' ' ' SER . 7.7 ttmm -59.36 -24.18 63.16 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.702 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.8 tt -51.35 -37.66 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 86.1 mt -63.49 -39.36 94.25 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.419 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.4 p . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.544 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.1 pt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.506 0.67 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -105.72 11.22 32.36 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 122.527 1.156 . . . . 0.0 108.427 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.645 ' O ' HG22 ' Y' ' 10' ' ' ILE . 76.5 t90 -59.93 -48.74 80.47 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.408 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' Y' ' 8' ' ' ASN . 1.5 t-20 -51.29 -30.95 19.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.242 -1.536 . . . . 0.0 108.94 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' Y' ' 12' ' ' SER . 7.2 ttpm? -59.42 -27.04 65.67 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.645 HG22 ' O ' ' Y' ' 7' ' ' TRP . 11.5 tt -51.32 -34.23 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.545 HD13 ' O ' ' Y' ' 11' ' ' LEU . 0.3 OUTLIER -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . 0.523 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 5.7 t . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 117.997 -1.002 . . . . 0.0 109.62 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.955 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -80.06 163.46 24.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.084 -1.245 . . . . 0.0 108.663 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.507 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 42.7 mp0 -56.38 -50.02 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.067 . . . . 0.0 110.002 -177.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.55 -40.29 94.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.045 -1.035 . . . . 0.0 109.036 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -66.37 -35.1 79.47 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.078 -1.014 . . . . 0.0 109.724 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -44.35 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.396 -0.815 . . . . 0.0 110.025 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -70.62 -29.69 66.14 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -69.98 -48.81 56.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.374 -1.454 . . . . 0.0 110.221 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.9 -31.21 68.88 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.687 -0.633 . . . . 0.0 110.553 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -67.42 -56.68 8.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.777 -1.202 . . . . 0.0 110.063 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.2 mp -46.97 -39.3 12.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.277 -1.515 . . . . 0.0 108.59 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.1 -38.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.516 -0.74 . . . . 0.0 110.88 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -78.51 -43.64 26.4 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 119.967 -1.708 . . . . 0.0 112.587 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 15' ' ' PHE . 10.7 m -60.03 -42.92 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.497 -1.377 . . . . 0.0 109.486 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 14' ' ' VAL . 6.2 t80 -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.889 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.06 -39.27 85.44 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.596 -1.315 . . . . 0.0 109.16 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.81 17.4 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 60.9 m80 -75.2 -46.39 34.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.906 -1.121 . . . . 0.0 111.702 -178.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 24' ' ' ASP . 47.2 t -54.05 -27.98 35.79 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.0 10.57 40.52 Favored Glycine 0 N--CA 1.505 3.253 0 O-C-N 120.857 -1.152 . . . . 0.0 110.561 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.8 ttmm -125.07 -78.24 0.6 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -1.123 . . . . 0.0 109.604 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.37 43.36 0.06 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.647 -1.283 . . . . 0.0 109.879 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . 177.79 -144.5 6.6 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.304 -1.427 . . . . 0.0 110.795 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' SER . 96.1 m-20 -83.69 169.01 15.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.641 -0.917 . . . . 0.0 109.015 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -56.89 -48.97 76.94 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 111.983 -177.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 37.5 t80 -133.39 36.02 3.41 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 120.62 -1.3 . . . . 0.0 111.614 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -135.66 142.49 45.16 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.4 tp -94.58 100.26 12.26 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 32' ' ' GLU . 43.3 t -69.85 157.91 36.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.744 -1.222 . . . . 0.0 110.014 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.88 -36.73 1.6 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -78.4 -23.48 46.74 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.633 -1.292 . . . . 0.0 109.03 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' SER . 7.5 mm-40 -73.37 -42.44 62.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.003 -1.061 . . . . 0.0 110.615 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.4 pp -60.59 -43.07 97.79 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.582 -1.324 . . . . 0.0 108.296 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' HD12 ' A' ' 33' ' ' LEU . 71.8 tttt -63.64 -40.15 96.15 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.435 -177.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.63 -40.54 66.35 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.05 -1.031 . . . . 0.0 111.058 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.423 HD23 ' CE2' ' A' ' 74' ' ' PHE . 57.0 tp -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.517 -0.739 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.466 HD21 ' CE2' ' A' ' 74' ' ' PHE . 92.3 mt -78.04 -43.03 30.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.44 -0.787 . . . . 0.0 113.042 -178.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.49 ' C ' ' H ' ' A' ' 40' ' ' GLU . 9.1 pt20 -69.63 -40.14 76.72 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.287 -0.883 . . . . 0.0 111.741 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 39' ' ' THR . 28.9 m -60.76 11.08 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.753 -0.592 . . . . 0.0 111.811 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 38' ' ' GLN . 82.6 mt-10 -156.83 -47.34 0.07 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.664 -1.273 . . . . 0.0 110.371 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.462 HD13 HD13 ' A' ' 45' ' ' LEU . 24.6 mt -105.03 43.31 1.12 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 85.3 p -60.11 -47.34 86.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.481 0.657 . . . . 0.0 110.697 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.8 m -67.58 -39.87 84.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.335 -0.853 . . . . 0.0 111.455 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 45' ' ' LEU . 12.6 t80 -89.25 -102.36 0.09 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.88 -1.137 . . . . 0.0 112.564 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.583 ' C ' ' O ' ' A' ' 44' ' ' PHE . 4.1 mp -12.19 133.86 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.217 0 CA-C-O 115.377 -2.249 . . . . 0.0 109.312 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -88.89 112.54 23.4 Favored 'General case' 0 N--CA 1.522 3.139 1 CA-C-N 127.137 4.517 . . . . 0.0 110.435 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.7 t -135.8 -84.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.359 -0.838 . . . . 0.0 109.841 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -61.93 -40.11 94.36 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.363 0.601 . . . . 0.0 111.635 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 12.3 mtmm -60.56 -28.84 68.76 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -141.22 93.02 2.53 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.22 68.95 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.93 -39.06 84.21 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.13 91.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.167 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -34.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.481 -1.387 . . . . 0.0 109.198 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.68 -40.1 94.81 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.892 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.79 -40.36 76.06 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.07 -1.019 . . . . 0.0 111.06 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.78 -53.79 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.334 -0.854 . . . . 0.0 109.532 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 ttt -60.06 -34.97 74.16 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.32 95.31 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.94 -27.08 68.89 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.395 -0.815 . . . . 0.0 108.967 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 63' ' ' GLU . 46.9 mt -88.47 -29.68 19.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.15 -0.969 . . . . 0.0 110.106 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -68.86 49.01 0.07 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 61' ' ' LEU . 90.3 mt-10 -60.23 -39.6 87.25 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.12 -20.58 63.17 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.24 32.95 Favored Glycine 0 N--CA 1.48 1.585 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 29.1 p-10 -92.08 -126.15 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 66' ' ' ASP . . . -149.35 16.7 1.14 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -138.87 175.83 9.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.654 -1.497 . . . . 0.0 108.347 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -123.93 134.39 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -98.26 167.2 11.01 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.36 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.559 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 21.9 t80 -59.96 -34.75 73.69 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 109.702 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.5 pt20 -69.46 -23.03 63.6 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.621 -1.299 . . . . 0.0 108.873 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -85.86 -50.33 7.2 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.755 0.788 . . . . 0.0 110.022 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 37' ' ' LEU . 62.3 t80 -60.53 -45.16 94.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.404 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.709 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.0 t -60.64 -40.03 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.033 -1.042 . . . . 0.0 109.393 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 72' ' ' GLN . 49.1 t -59.41 -39.91 80.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.806 -1.184 . . . . 0.0 109.419 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.705 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.3 tm? -66.57 -54.7 20.78 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 121.077 -1.014 . . . . 0.0 112.657 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' HG22 ' A' ' 82' ' ' THR . 21.4 m -55.12 -31.05 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.364 -1.46 . . . . 0.0 109.258 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -71.74 -37.38 70.57 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-O 121.566 0.698 . . . . 0.0 109.712 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.6 -26.79 45.49 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -176.336 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.057 HD13 ' H ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.85 -39.6 26.24 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.412 -2.055 . . . . 0.0 108.99 179.616 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . 1.057 ' H ' HD13 ' A' ' 81' ' ' LEU . 3.0 t -59.66 -43.92 93.75 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.844 -1.16 . . . . 0.0 110.966 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 84' ' ' ALA . 17.9 m -59.99 -44.62 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 120.766 -1.209 . . . . 0.0 110.017 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.485 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -63.04 -26.71 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.522 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 24.7 t -70.38 -38.66 74.74 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.45 -40.56 91.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.409 -0.807 . . . . 0.0 109.083 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.841 . . . . 0.0 110.19 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 58.9 t80 -79.08 -4.58 50.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.292 -0.88 . . . . 0.0 109.766 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 2.9 m-85 -90.68 -1.15 57.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.228 -0.92 . . . . 0.0 109.434 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 33.1 t90 . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.692 -1.255 . . . . 0.0 108.215 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 44.2 mp0 -56.19 -50.33 71.53 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.892 -1.13 . . . . 0.0 109.944 -177.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.27 -39.95 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.944 -1.097 . . . . 0.0 108.983 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -66.12 -35.88 81.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 109.555 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.86 -44.0 94.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 110.408 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -70.15 -30.47 67.63 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -70.18 -48.4 57.39 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.398 -1.439 . . . . 0.0 110.24 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.98 -31.08 68.6 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.699 -0.626 . . . . 0.0 110.532 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.68 -56.93 7.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.052 -179.494 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -46.7 -38.77 10.36 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.457 -1.402 . . . . 0.0 108.707 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.2 mt -67.5 -38.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.416 -0.802 . . . . 0.0 111.134 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -78.09 -44.33 26.52 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.158 -1.589 . . . . 0.0 112.38 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.573 HG23 ' N ' ' B' ' 15' ' ' PHE . 10.6 m -59.91 -42.93 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.521 -1.362 . . . . 0.0 109.452 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.573 ' N ' HG23 ' B' ' 14' ' ' VAL . 6.2 t80 -63.54 -40.12 96.17 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.977 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -39.38 85.71 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.6 -1.312 . . . . 0.0 109.173 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.71 18.66 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.445 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 62.3 m80 -75.12 -46.73 32.55 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.727 -1.233 . . . . 0.0 111.573 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.457 ' O ' ' O ' ' B' ' 24' ' ' ASP . 40.8 t -53.5 -28.05 28.84 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.29 10.36 39.46 Favored Glycine 0 N--CA 1.506 3.332 0 O-C-N 120.764 -1.21 . . . . 0.0 110.599 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 23' ' ' GLY . 19.6 ttmm -124.9 -78.35 0.6 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.306 -1.114 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.401 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -70.07 43.06 0.06 Allowed 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.693 -1.254 . . . . 0.0 110.358 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . 177.87 -144.41 6.54 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' B' ' 19' ' ' SER . 96.0 m-20 -83.67 169.58 15.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.572 -0.958 . . . . 0.0 108.947 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.96 -49.17 76.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 111.972 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 37.5 t80 -133.27 35.53 3.46 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.516 -1.365 . . . . 0.0 111.62 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -135.44 142.42 45.58 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.8 tp -94.09 99.64 11.9 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.558 ' O ' ' N ' ' B' ' 32' ' ' GLU . 33.7 t -70.03 158.22 36.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.492 -1.38 . . . . 0.0 110.016 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.89 -37.05 1.7 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.374 -0.829 . . . . 0.0 110.012 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -77.98 -23.27 48.45 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 108.936 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' B' ' 29' ' ' SER . 7.3 mm-40 -73.55 -42.27 61.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.022 -1.049 . . . . 0.0 110.644 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.13 -42.07 97.87 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.365 -1.459 . . . . 0.0 108.413 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.31 -40.08 95.19 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.105 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.23 -40.36 67.82 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.209 -0.932 . . . . 0.0 111.17 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' B' ' 74' ' ' PHE . 57.3 tp -63.39 -41.77 98.79 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.583 -0.698 . . . . 0.0 110.605 -178.136 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.459 HD21 ' CE2' ' B' ' 74' ' ' PHE . 92.6 mt -78.19 -43.26 29.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' B' ' 40' ' ' GLU . 10.8 pt20 -69.68 -40.02 76.62 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 121.987 0.898 . . . . 0.0 111.558 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.613 ' O ' HG22 ' B' ' 39' ' ' THR . 31.8 m -60.7 10.76 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.722 -0.611 . . . . 0.0 111.987 -176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' B' ' 38' ' ' GLN . 82.8 mt-10 -156.61 -47.27 0.07 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.679 -1.263 . . . . 0.0 110.144 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.44 HD13 HD13 ' B' ' 45' ' ' LEU . 24.5 mt -105.2 43.47 1.11 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.522 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 96.6 p -60.14 -46.44 89.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.48 0.657 . . . . 0.0 110.606 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.5 m -68.4 -39.99 81.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.337 -0.852 . . . . 0.0 111.418 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' B' ' 45' ' ' LEU . 14.4 t80 -90.15 -87.98 0.18 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.964 -1.085 . . . . 0.0 113.831 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' B' ' 44' ' ' PHE . 3.5 mp -35.53 141.0 0.09 Allowed 'General case' 0 N--CA 1.514 2.771 0 CA-C-O 117.211 -1.376 . . . . 0.0 107.945 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.7 t0 -88.59 110.88 21.27 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 124.471 3.305 . . . . 0.0 110.02 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 75.0 t -135.48 -83.43 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-O 121.739 0.78 . . . . 0.0 109.891 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -62.26 -40.56 96.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.587 -0.696 . . . . 0.0 111.638 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.2 mtmm -60.36 -28.56 68.28 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -141.63 93.13 2.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.47 -30.88 68.84 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.0 -39.1 84.62 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.14 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.039 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -34.38 56.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 120.247 -1.533 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.63 -40.27 95.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.822 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.78 -40.0 76.31 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.133 -0.979 . . . . 0.0 111.051 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.8 -53.55 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -60.12 -35.39 75.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.358 -0.839 . . . . 0.0 110.455 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -42.94 95.65 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.95 -24.29 67.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 109.398 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' B' ' 63' ' ' GLU . 44.3 mt -91.34 -28.79 17.5 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -69.4 48.83 0.08 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.8 mt-10 -59.94 -39.63 86.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -70.12 -20.21 63.19 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.09 33.12 33.67 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' B' ' 67' ' ' GLY . 29.1 p-10 -92.61 -126.59 0.09 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' B' ' 66' ' ' ASP . . . -148.42 15.64 1.27 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.68 176.47 8.67 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.716 -1.461 . . . . 0.0 108.529 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t -124.35 134.8 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.903 . . . . 0.0 109.03 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.0 t0 -98.59 167.39 10.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.692 0.758 . . . . 0.0 109.623 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.554 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 20.7 t80 -59.8 -35.44 74.68 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.5 -0.75 . . . . 0.0 109.743 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -68.98 -22.75 64.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.595 -1.315 . . . . 0.0 108.853 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -86.11 -50.12 7.25 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.7 0.762 . . . . 0.0 110.097 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.459 ' CE2' HD21 ' B' ' 37' ' ' LEU . 65.1 t80 -60.42 -45.81 92.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.633 . . . . 0.0 111.482 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.709 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.1 t -60.22 -40.1 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.981 -1.074 . . . . 0.0 109.616 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.36 -39.86 80.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.023 -1.048 . . . . 0.0 109.526 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.683 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.4 tm? -66.84 -54.43 22.53 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 112.599 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.422 ' O ' HG22 ' B' ' 82' ' ' THR . 27.4 m -55.28 -30.92 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.284 -1.51 . . . . 0.0 109.435 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -72.27 -36.46 69.02 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-O 121.667 0.746 . . . . 0.0 109.67 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.79 -27.39 44.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 1.028 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -80.7 -39.25 27.44 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.404 -2.06 . . . . 0.0 109.254 179.707 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . 1.028 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.2 t -59.92 -43.39 94.93 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.955 -1.091 . . . . 0.0 110.859 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 84' ' ' ALA . 17.8 m -60.28 -45.05 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.966 -1.084 . . . . 0.0 110.037 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.48 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -62.85 -26.71 68.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.534 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 25.6 t -70.17 -38.73 75.5 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.52 -40.45 91.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.446 -0.784 . . . . 0.0 109.075 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -60.3 -40.26 89.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 110.071 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 62.9 t80 -79.03 -4.58 50.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.334 -0.854 . . . . 0.0 109.881 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.534 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.0 m-85 -90.64 -1.05 57.88 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.418 -0.801 . . . . 0.0 109.48 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 32.2 t90 . . . . . 0 C--N 1.302 -1.48 0 O-C-N 120.833 -1.167 . . . . 0.0 108.164 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 6' ' ' ASP . . . . . 0.403 ' H ' HG23 ' X' ' 5' ' ' ILE . 94.5 m-20 41.75 19.19 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.166 -0.959 . . . . 0.0 110.469 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' X' ' 5' ' ' ILE . 30.8 t90 -64.71 -50.06 68.41 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.231 -0.918 . . . . 0.0 110.727 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.479 ' CG ' HD11 ' A' ' 57' ' ' ILE . 20.8 t-20 -50.88 -32.68 21.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.49 -1.381 . . . . 0.0 108.669 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -60.05 -28.39 67.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.55 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.1 tt -51.27 -39.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.42 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 64.0 tp -60.59 -42.68 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.356 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 122.503 1.144 . . . . 0.0 108.389 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -100.12 18.09 19.51 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.399 -1.438 . . . . 0.0 108.806 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.608 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.4 t90 -59.97 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.71 -0.619 . . . . 0.0 111.906 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.539 ' CG ' HD11 ' B' ' 57' ' ' ILE . 40.3 t-20 -51.55 -37.23 48.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 119.932 -1.73 . . . . 0.0 108.777 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.38 -25.4 65.85 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.608 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.7 tt -51.32 -39.92 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 57.2 tp -66.11 -42.16 89.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.629 178.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.27 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.268 2.467 . . . . 0.0 119.268 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.411 ' OG ' ' OE1' ' A' ' 5' ' ' GLU . 50.7 m -80.0 156.42 27.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -1.165 . . . . 0.0 109.433 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 4' ' ' LEU . 14.5 pt-20 -44.53 -52.71 7.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.374 -0.829 . . . . 0.0 110.525 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 7.3 mt -70.61 -39.97 73.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.007 -1.058 . . . . 0.0 110.095 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.411 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 44.8 mt-10 -63.67 -30.69 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.09 -1.006 . . . . 0.0 109.228 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -45.68 92.04 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.975 0.893 . . . . 0.0 109.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.05 -29.63 67.81 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.418 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ttt -71.65 -48.66 46.29 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.427 -1.42 . . . . 0.0 110.322 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.96 -34.71 73.76 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.63 -0.669 . . . . 0.0 111.228 -176.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 11' ' ' LEU . 4.1 t -66.55 -55.59 14.76 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.914 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.534 ' N ' HG23 ' A' ' 10' ' ' THR . 6.9 mp -48.66 -41.82 32.63 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.397 -1.44 . . . . 0.0 109.036 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.85 -39.95 87.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.223 -0.923 . . . . 0.0 111.786 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -77.42 -45.07 26.98 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 119.867 -1.77 . . . . 0.0 112.572 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.5 p -60.02 -43.54 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.617 -1.302 . . . . 0.0 110.004 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.661 ' CE2' HD13 ' A' ' 28' ' ' LEU . 5.4 t80 -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.568 -1.333 . . . . 0.0 110.284 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.94 -56.94 11.06 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -83.27 -39.69 20.52 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.05 -1.031 . . . . 0.0 111.418 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 14.9 m -61.6 -33.48 73.97 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.41 12.64 61.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 120.646 -1.284 . . . . 0.0 111.29 -177.357 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -121.37 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.988 . . . . 0.0 109.161 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -91.74 17.22 9.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.935 -1.103 . . . . 0.0 111.177 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -167.76 -157.05 10.53 Favored Glycine 0 N--CA 1.497 2.738 0 C-N-CA 118.459 -1.829 . . . . 0.0 112.424 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 19' ' ' SER . 98.2 m-20 -69.06 143.6 54.21 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.768 0.795 . . . . 0.0 110.924 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -50.47 -60.04 3.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 112.286 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -105.42 14.9 28.05 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.973 -1.079 . . . . 0.0 112.591 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -137.16 144.59 43.02 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.683 -1.261 . . . . 0.0 109.197 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.661 HD13 ' CE2' ' A' ' 15' ' ' PHE . 2.4 tp -92.69 170.31 9.82 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.873 0.844 . . . . 0.0 109.99 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.523 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.7 m -131.26 160.81 33.81 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' SER . 6.4 tptp -44.23 -39.84 4.72 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.801 -1.187 . . . . 0.0 111.355 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -78.79 -33.29 46.44 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.037 -1.665 . . . . 0.0 110.891 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' H ' ' A' ' 29' ' ' SER . 85.9 mt-10 -71.65 -39.96 70.01 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.208 -1.558 . . . . 0.0 111.204 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.5 pp -59.29 -45.66 90.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.483 -1.386 . . . . 0.0 108.806 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.684 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.0 tttt -60.01 -39.92 87.47 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.426 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.98 -41.53 92.18 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.042 . . . . 0.0 111.195 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.2 mm? -61.58 -36.14 79.82 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.948 -1.095 . . . . 0.0 110.341 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.8 mp -75.25 -52.09 11.72 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.795 -1.191 . . . . 0.0 111.434 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' A' ' 48' ' ' GLN . 12.9 pt20 -77.48 -18.72 56.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.12 -0.987 . . . . 0.0 113.586 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 40' ' ' GLU . 1.3 t -54.57 -47.2 73.55 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 117.345 -1.742 . . . . 0.0 108.927 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 75.5 mm-40 -114.77 -38.34 3.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.341 -0.849 . . . . 0.0 111.459 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 45' ' ' LEU . 48.7 mt -93.5 40.36 1.07 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.944 -1.098 . . . . 0.0 109.506 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -60.0 -50.06 75.24 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.594 0.712 . . . . 0.0 110.546 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.8 t -81.02 -23.57 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.565 -0.709 . . . . 0.0 111.772 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.629 ' O ' ' O ' ' A' ' 45' ' ' LEU . 3.5 t80 -84.81 -102.61 0.05 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.341 -1.475 . . . . 0.0 110.579 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.629 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mp -13.61 150.11 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.908 0 CA-C-O 117.446 -1.264 . . . . 0.0 110.715 174.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -95.14 102.16 13.95 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 124.126 3.148 . . . . 0.0 109.601 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -146.1 -56.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 O-C-N 120.164 -1.585 . . . . 0.0 109.013 178.174 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 75.7 mm-40 -70.05 -40.47 75.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.958 -1.089 . . . . 0.0 109.97 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.62 -25.11 62.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -135.11 88.42 2.42 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.32 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.97 -38.44 82.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.531 ' O ' HD13 ' A' ' 57' ' ' ILE . . . -55.53 -37.58 68.13 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.142 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -39.96 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.195 -1.566 . . . . 0.0 108.186 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.43 -41.53 98.78 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.974 -1.079 . . . . 0.0 111.98 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.83 -39.98 87.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.401 -1.437 . . . . 0.0 109.895 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 53' ' ' ALA . 1.4 mp -70.0 -53.06 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.422 0.63 . . . . 0.0 111.313 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.1 ttt -60.14 -39.96 88.17 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.061 -1.024 . . . . 0.0 111.515 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 8.6 mmpt? -60.91 -41.05 95.36 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -24.93 64.83 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 63' ' ' GLU . 25.3 mt -92.27 -25.21 18.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.456 -0.777 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.461 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 86.9 m-20 -72.63 44.83 0.13 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.53 -1.356 . . . . 0.0 107.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.5 mt-10 -59.93 -40.07 87.66 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.12 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.533 HD21 ' CG ' ' A' ' 66' ' ' ASP . 52.3 p30 -77.27 -12.38 59.94 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 70.89 32.41 66.46 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.533 ' CG ' HD21 ' A' ' 64' ' ' ASN . 48.4 p-10 -93.82 -6.58 45.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.194 -1.18 . . . . 0.0 111.563 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.44 14.95 69.96 Favored Glycine 0 N--CA 1.501 2.993 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -136.42 171.9 13.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.7 t -124.21 126.43 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 O-C-N 120.523 -1.36 . . . . 0.0 110.398 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.5 t0 -93.09 150.49 20.48 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -43.25 -39.76 3.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.192 -177.523 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -61.93 -35.01 77.13 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.317 -1.49 . . . . 0.0 109.365 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 76' ' ' VAL . 53.9 mt-10 -76.55 -43.63 38.26 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.971 0.891 . . . . 0.0 111.02 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -69.76 -45.53 67.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.353 -0.842 . . . . 0.0 111.439 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.667 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -63.36 -30.69 50.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 O-C-N 121.424 -0.798 . . . . 0.0 110.566 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -64.17 -33.61 63.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.714 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.3 tm? -70.24 -55.5 9.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.803 -0.561 . . . . 0.0 111.855 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 78' ' ' VAL . 1.3 t -60.03 -44.74 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 122.148 0.975 . . . . 0.0 109.028 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -59.96 -40.51 89.3 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.729 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.8 -24.87 59.88 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -83.22 -49.11 9.77 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 119.846 -1.784 . . . . 0.0 109.706 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 83' ' ' VAL . 2.0 t -48.16 -47.04 35.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.036 -1.04 . . . . 0.0 110.045 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 84' ' ' ALA . 16.8 m -60.08 -41.67 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.976 -1.077 . . . . 0.0 109.762 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.453 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -59.97 -27.3 66.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.441 -0.787 . . . . 0.0 109.091 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.24 -40.97 74.13 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.638 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.06 -40.27 88.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.544 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.33 -40.02 89.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.299 -0.875 . . . . 0.0 110.423 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.01 -7.96 59.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.118 -0.989 . . . . 0.0 109.514 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.2 -20.04 45.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 108.686 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 90' ' ' TRP . 77.7 t90 . . . . . 0 C--N 1.304 -1.392 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.441 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 50.6 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 4' ' ' LEU . 14.9 pt-20 -44.41 -52.6 7.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 110.605 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.413 ' N ' ' CG ' ' B' ' 3' ' ' GLU . 7.1 mt -70.74 -40.02 72.99 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.928 -1.108 . . . . 0.0 110.117 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . 0.42 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 44.3 mt-10 -63.55 -30.85 71.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.981 -1.075 . . . . 0.0 109.199 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -45.52 92.49 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.968 0.889 . . . . 0.0 109.736 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.44 67.07 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -71.89 -48.29 46.73 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.412 -1.43 . . . . 0.0 110.21 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.03 -34.55 73.4 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.617 -0.677 . . . . 0.0 111.294 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.531 HG23 ' N ' ' B' ' 11' ' ' LEU . 4.1 t -66.74 -55.56 14.45 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.771 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.531 ' N ' HG23 ' B' ' 10' ' ' THR . 6.8 mp -48.78 -41.76 33.54 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.492 -1.38 . . . . 0.0 108.999 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.92 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.132 -0.98 . . . . 0.0 111.806 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -77.58 -44.83 27.12 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 119.987 -1.696 . . . . 0.0 112.536 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.495 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -60.12 -43.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.552 -1.343 . . . . 0.0 109.997 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.636 ' CE2' HD13 ' B' ' 28' ' ' LEU . 5.7 t80 -60.02 -39.98 87.74 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.12 -39.97 88.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.632 -1.293 . . . . 0.0 110.241 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -57.04 10.68 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.09 -40.02 20.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.185 -0.947 . . . . 0.0 111.456 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 15.3 m -61.13 -33.72 73.85 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.61 12.59 61.29 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.545 -1.347 . . . . 0.0 111.345 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -121.04 -62.46 1.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.523 -0.986 . . . . 0.0 109.094 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -91.75 16.71 10.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.005 -1.059 . . . . 0.0 111.204 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.531 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -167.5 -156.89 10.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 118.434 -1.841 . . . . 0.0 112.43 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' B' ' 19' ' ' SER . 98.4 m-20 -69.02 143.46 54.32 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.717 0.77 . . . . 0.0 110.997 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -50.51 -60.0 3.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.69 -0.631 . . . . 0.0 112.3 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -105.1 14.51 29.1 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.929 -1.107 . . . . 0.0 112.541 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.22 144.31 42.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.659 -1.276 . . . . 0.0 109.249 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.636 HD13 ' CE2' ' B' ' 15' ' ' PHE . 2.5 tp -92.44 170.38 9.81 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.885 0.85 . . . . 0.0 110.074 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 69.4 m -131.28 160.84 33.75 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -44.26 -39.91 4.82 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 111.327 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -78.73 -33.49 46.65 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.074 -1.641 . . . . 0.0 110.887 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.531 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 85.8 mt-10 -71.35 -40.07 70.91 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.198 -1.564 . . . . 0.0 111.229 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.665 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.5 pp -59.38 -45.5 91.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.494 -1.379 . . . . 0.0 108.837 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.665 ' N ' HD12 ' B' ' 33' ' ' LEU . 79.6 tttt -59.98 -39.86 87.17 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.32 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.01 -41.73 92.76 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 111.168 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.448 ' HA ' HD13 ' B' ' 36' ' ' LEU . 3.2 mm? -61.53 -35.85 78.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.96 -1.088 . . . . 0.0 110.368 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.8 mp -75.37 -52.23 11.27 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.453 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.475 ' OE1' ' NE2' ' B' ' 48' ' ' GLN . 12.8 pt20 -77.26 -18.33 57.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 113.568 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.409 HG23 ' N ' ' B' ' 40' ' ' GLU . 1.3 t -54.98 -47.2 74.91 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.911 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.409 ' N ' HG23 ' B' ' 39' ' ' THR . 75.5 mm-40 -114.74 -38.19 4.03 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.346 -0.846 . . . . 0.0 111.383 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.479 HD13 HD13 ' B' ' 45' ' ' LEU . 50.2 mt -93.43 40.07 1.06 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.957 -1.09 . . . . 0.0 109.595 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -59.95 -50.09 75.13 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.563 0.697 . . . . 0.0 110.56 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.6 t -81.1 -22.55 39.06 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.452 -0.78 . . . . 0.0 111.647 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 45' ' ' LEU . 3.6 t80 -86.34 -88.48 0.12 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.316 -1.49 . . . . 0.0 112.485 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.479 HD13 HD13 ' B' ' 41' ' ' LEU . 1.2 mp -38.2 157.49 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.9 t0 -95.37 101.78 13.54 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 122.101 2.228 . . . . 0.0 109.223 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -146.23 -55.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 120.39 -1.444 . . . . 0.0 108.595 178.195 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.475 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 76.8 mm-40 -70.14 -40.52 74.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 0.0 110.08 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -70.72 -24.84 62.71 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -135.57 88.38 2.4 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.0 -32.0 65.67 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.97 -38.82 83.64 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HD13 ' B' ' 57' ' ' ILE . . . -54.82 -39.28 68.34 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 118.628 -1.229 . . . . 0.0 108.913 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -39.96 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.102 -1.624 . . . . 0.0 108.292 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.34 -41.82 98.88 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.97 -1.081 . . . . 0.0 111.944 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.75 -39.97 88.1 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.453 -1.405 . . . . 0.0 109.979 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.539 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 1.4 mp -69.89 -53.0 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.768 -0.582 . . . . 0.0 111.277 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.414 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.5 ttt -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.015 -1.053 . . . . 0.0 111.623 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' B' ' 62' ' ' ASP . 8.7 mmpt? -60.94 -41.29 95.95 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.42 -23.05 64.09 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' B' ' 63' ' ' GLU . 24.6 mt -94.02 -25.0 17.4 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.407 -0.808 . . . . 0.0 110.543 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 86.7 m-20 -72.76 44.76 0.13 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.511 -1.368 . . . . 0.0 107.749 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.05 -39.83 87.34 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.089 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.547 HD21 ' CG ' ' B' ' 66' ' ' ASP . 51.7 p30 -77.35 -12.37 59.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 70.7 32.39 67.14 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.547 ' CG ' HD21 ' B' ' 64' ' ' ASN . 48.5 p-10 -93.72 -6.65 45.69 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.303 -1.116 . . . . 0.0 111.485 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.31 70.28 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -136.78 172.27 13.26 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.43 126.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 O-C-N 120.524 -1.36 . . . . 0.0 110.468 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.2 t0 -92.9 150.64 20.45 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.54 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 0.1 OUTLIER -43.43 -39.9 3.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.33 -0.856 . . . . 0.0 110.231 -177.526 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.85 -34.84 76.7 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.348 -1.47 . . . . 0.0 109.4 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.459 ' O ' HG12 ' B' ' 76' ' ' VAL . 54.1 mt-10 -76.67 -43.74 36.67 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.963 0.887 . . . . 0.0 111.009 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -69.61 -45.33 68.78 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.398 -0.814 . . . . 0.0 111.515 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.643 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.7 p -63.55 -30.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.402 -0.811 . . . . 0.0 110.634 -178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -64.27 -33.7 64.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.708 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.3 tm? -70.19 -55.45 9.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.782 -0.574 . . . . 0.0 111.876 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.453 ' H ' HG23 ' B' ' 78' ' ' VAL . 1.2 t -60.04 -44.76 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-O 122.159 0.98 . . . . 0.0 109.073 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -60.0 -40.48 89.34 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.633 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.88 -24.91 59.79 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.41 -48.32 10.48 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 119.896 -1.752 . . . . 0.0 109.854 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.426 HG23 ' N ' ' B' ' 83' ' ' VAL . 2.0 t -48.7 -47.02 41.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.129 -0.982 . . . . 0.0 109.973 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.451 HG23 ' N ' ' B' ' 84' ' ' ALA . 16.1 m -60.1 -41.72 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.181 -0.949 . . . . 0.0 109.706 177.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.451 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.05 -26.9 66.49 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.444 -0.785 . . . . 0.0 109.128 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.8 -40.65 72.41 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.267 -0.896 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.05 -40.49 89.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.23 -40.08 88.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.39 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -81.89 -8.07 59.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.136 -0.978 . . . . 0.0 109.596 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -79.99 -20.05 46.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.964 . . . . 0.0 108.675 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.415 ' O ' ' CG ' ' B' ' 90' ' ' TRP . 77.8 t90 . . . . . 0 C--N 1.304 -1.395 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 3.2 pt . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -132.56 23.04 4.34 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.173 -0.954 . . . . 0.0 110.452 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.652 ' O ' HG22 ' X' ' 10' ' ' ILE . 5.8 p-90 -60.01 -38.51 82.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.686 -1.259 . . . . 0.0 109.633 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.468 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 16.5 t-20 -51.15 -32.98 24.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.142 -1.599 . . . . 0.0 108.04 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' X' ' 12' ' ' SER . 85.3 tttt -62.56 -26.59 68.66 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.652 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -50.01 -38.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.411 HD22 HD21 ' A' ' 81' ' ' LEU . 65.5 tp -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.471 ' N ' ' O ' ' X' ' 9' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pt . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -137.01 20.77 3.02 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.006 -1.059 . . . . 0.0 110.794 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.605 ' O ' HG22 ' Y' ' 10' ' ' ILE . 4.9 p-90 -61.28 -38.29 86.21 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.758 -1.214 . . . . 0.0 110.208 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.478 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 26.1 t-20 -52.49 -35.72 53.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 119.614 -1.929 . . . . 0.0 107.934 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -24.61 63.64 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.605 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.6 tt -51.0 -39.99 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 60.0 tp -69.16 -40.03 78.43 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.601 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.446 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.867 0 N-CA-C 119.224 2.45 . . . . 0.0 119.224 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -78.86 163.07 25.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -1.157 . . . . 0.0 108.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.645 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -59.99 -46.75 88.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.074 -1.016 . . . . 0.0 110.917 -178.118 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.9 tt -64.16 -40.03 95.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.479 -1.388 . . . . 0.0 109.005 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 86.3 tt0 -59.92 -39.2 84.65 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.6 m -53.21 -40.07 64.21 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.282 1.039 . . . . 0.0 109.946 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -32.44 71.18 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.7 ppp? -76.5 -45.24 31.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.15 -1.594 . . . . 0.0 110.036 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.435 ' N ' ' SD ' ' A' ' 8' ' ' MET . 98.3 mt-10 -68.48 -39.21 81.43 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.309 -0.869 . . . . 0.0 110.618 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.18 -55.79 25.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.84 -1.162 . . . . 0.0 110.805 -178.042 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -48.51 -36.38 15.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.397 -1.439 . . . . 0.0 108.788 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -68.14 -39.93 82.1 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 O-C-N 121.259 -0.9 . . . . 0.0 111.386 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -80.76 -42.25 22.12 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 119.865 -1.772 . . . . 0.0 113.316 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 15' ' ' PHE . 13.3 m -60.0 -41.17 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.35 -1.469 . . . . 0.0 108.922 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' N ' HG23 ' A' ' 14' ' ' VAL . 3.6 t80 -59.91 -38.37 82.13 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -59.96 -37.87 80.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.579 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.15 -57.28 13.29 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 113.187 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.44 -45.34 39.3 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 120.863 -1.148 . . . . 0.0 111.267 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 24' ' ' ASP . 22.1 p -60.01 -25.44 65.29 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 5.43 50.05 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.66 -1.275 . . . . 0.0 111.857 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -123.74 -67.55 0.92 Allowed 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 118.84 1.32 . . . . 0.0 109.487 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.83 61.85 5.36 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.591 -1.318 . . . . 0.0 108.854 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.41 -148.95 15.89 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.354 -1.403 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.9 m-20 -88.73 165.57 14.64 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.68 -51.55 59.77 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 111.851 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -130.18 32.0 4.56 Favored 'General case' 0 N--CA 1.513 2.713 0 O-C-N 120.64 -1.287 . . . . 0.0 113.066 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.86 140.71 47.03 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.504 -1.373 . . . . 0.0 108.505 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.3 tp -95.59 156.52 16.29 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.572 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.8 p -129.54 164.87 22.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -48.72 -37.49 18.92 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.649 -1.22 . . . . 0.0 112.219 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 2.2 tmtm? -77.43 -29.78 53.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.083 -1.636 . . . . 0.0 110.301 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.572 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -74.4 -40.94 61.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.65 -1.281 . . . . 0.0 111.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.1 pp -59.99 -45.58 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.646 -1.284 . . . . 0.0 109.117 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.663 ' N ' HD12 ' A' ' 33' ' ' LEU . 75.4 tttt -63.22 -39.41 94.54 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.767 -0.583 . . . . 0.0 111.24 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.53 ' OD2' ' NZ ' ' A' ' 31' ' ' LYS . 97.8 m-20 -69.99 -39.85 75.68 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 110.871 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.01 -39.93 90.68 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.038 0.923 . . . . 0.0 110.613 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 45' ' ' LEU . 6.2 tp -79.04 -52.68 7.89 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.326 0.584 . . . . 0.0 111.984 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.0 pt20 -62.22 -39.96 94.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 122.093 0.949 . . . . 0.0 112.757 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 2.2 t -47.33 -48.95 25.2 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.4 -0.812 . . . . 0.0 110.761 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 39' ' ' THR . 83.3 mt-10 -99.48 -15.16 18.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.241 -0.912 . . . . 0.0 109.887 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -129.89 41.57 3.41 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.2 m -60.08 -50.38 73.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.791 . . . . 0.0 110.159 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -83.76 -19.26 35.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.692 -0.63 . . . . 0.0 112.471 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.642 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.2 t80 -80.54 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 119.843 -1.786 . . . . 0.0 109.923 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.642 ' O ' ' O ' ' A' ' 44' ' ' PHE . 11.2 mp -15.76 151.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.466 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.468 ' H ' ' HB2' ' X' ' 8' ' ' ASN . 44.8 t0 -91.3 104.29 16.84 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 124.428 3.286 . . . . 0.0 109.816 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.435 HG11 HD23 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -142.32 -47.09 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.468 0 O-C-N 120.511 -1.368 . . . . 0.0 109.462 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 81.7 mt-30 -85.81 -12.29 51.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.134 -0.979 . . . . 0.0 110.01 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 2.8 mmtt -92.46 -19.1 22.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.0 m-20 -143.28 93.73 2.53 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -31.32 65.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.93 -38.37 82.17 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.09 85.26 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.64 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -36.51 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.284 -1.51 . . . . 0.0 108.248 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.16 -40.02 96.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.302 -0.874 . . . . 0.0 110.542 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.57 -40.51 84.86 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.225 -0.922 . . . . 0.0 110.429 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.14 -54.03 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.375 -0.828 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.07 -34.34 73.3 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.365 -0.834 . . . . 0.0 109.848 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -59.15 -49.84 76.33 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.955 -1.091 . . . . 0.0 108.599 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.437 ' OE2' ' OG ' ' X' ' 12' ' ' SER . 96.4 mt-10 -59.99 -23.45 63.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 0.0 108.934 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.5 mt -86.67 -28.72 22.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.44 -0.787 . . . . 0.0 109.95 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 12.7 t0 -72.16 50.87 0.22 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 61' ' ' LEU . 95.3 mt-10 -60.04 -41.13 91.58 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.25 -20.02 59.41 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.68 37.54 34.38 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 35.1 p-10 -98.19 -4.58 35.19 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.435 -1.038 . . . . 0.0 111.278 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.561 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 73.78 12.69 80.84 Favored Glycine 0 N--CA 1.503 3.112 0 O-C-N 121.047 -1.033 . . . . 0.0 110.64 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -131.01 174.16 10.28 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.03 129.92 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.779 -1.2 . . . . 0.0 108.924 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 25.9 t0 -96.28 158.88 15.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.093 -1.004 . . . . 0.0 108.757 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.404 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 37.9 t80 -55.08 -27.28 43.78 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 76' ' ' VAL . 62.5 tt0 -74.57 -25.22 59.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 122.127 0.965 . . . . 0.0 108.823 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.45 -48.94 7.97 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.692 0.758 . . . . 0.0 109.802 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.07 -45.59 92.88 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.459 0.647 . . . . 0.0 111.22 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.703 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.7 t -60.03 -39.75 81.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.234 -0.917 . . . . 0.0 109.862 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.4 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.017 -1.052 . . . . 0.0 108.85 178.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.697 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.9 tm? -62.34 -52.44 63.63 Favored 'General case' 0 N--CA 1.51 2.549 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.664 ' O ' HG22 ' A' ' 82' ' ' THR . 11.4 m -58.64 -36.53 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.387 -1.446 . . . . 0.0 109.152 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.717 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -65.55 -39.45 91.72 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-O 121.642 0.734 . . . . 0.0 109.978 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.75 -24.68 58.74 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.425 HD12 HD23 ' A' ' 45' ' ' LEU . 21.9 mt -88.8 -49.18 6.98 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 119.846 -1.784 . . . . 0.0 109.379 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.8 t -45.89 -46.72 16.05 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.653 -1.279 . . . . 0.0 109.814 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.568 HG23 ' N ' ' A' ' 84' ' ' ALA . 27.6 m -59.95 -44.2 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.076 -1.015 . . . . 0.0 110.383 178.073 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.568 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.17 -25.04 65.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.392 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.09 -34.38 75.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.0 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 0.0 109.133 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.87 -3.7 57.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.061 -1.024 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 58.4 t80 -79.52 -5.11 54.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.184 -0.947 . . . . 0.0 108.877 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.452 -0.78 . . . . 0.0 109.693 -179.7 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.633 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.1 pm0 -60.06 -46.71 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.052 . . . . 0.0 110.873 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.01 -40.04 95.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.568 -1.332 . . . . 0.0 109.053 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.96 -39.11 84.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.895 . . . . 0.0 109.177 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.4 m -53.26 -40.05 64.32 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.321 1.058 . . . . 0.0 110.019 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.38 71.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.7 ppp? -76.47 -45.14 32.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.175 -1.578 . . . . 0.0 110.11 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.44 ' N ' ' SD ' ' B' ' 8' ' ' MET . 98.3 mt-10 -68.64 -39.1 80.9 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.361 -0.837 . . . . 0.0 110.677 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.51 -55.6 25.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.879 -1.138 . . . . 0.0 110.757 -177.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.4 mp -48.5 -36.45 15.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.4 -1.438 . . . . 0.0 108.829 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.03 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.297 -0.877 . . . . 0.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -80.7 -42.36 22.09 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.965 -1.709 . . . . 0.0 113.26 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.552 HG23 ' N ' ' B' ' 15' ' ' PHE . 13.7 m -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.342 -1.474 . . . . 0.0 108.872 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.552 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.2 t80 -59.99 -38.48 82.73 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -60.0 -37.82 80.81 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.716 -1.24 . . . . 0.0 109.607 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -57.15 13.86 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.259 -0.901 . . . . 0.0 113.156 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -75.42 -45.36 39.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.79 -1.194 . . . . 0.0 111.365 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.439 ' O ' ' O ' ' B' ' 24' ' ' ASP . 23.2 p -60.02 -25.48 65.34 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.93 5.32 50.28 Favored Glycine 0 N--CA 1.502 3.078 0 O-C-N 120.585 -1.322 . . . . 0.0 111.926 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -123.61 -67.62 0.92 Allowed 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 118.92 1.36 . . . . 0.0 109.517 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -81.78 61.86 5.33 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.599 -1.313 . . . . 0.0 108.829 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.51 -148.96 15.86 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.309 -1.424 . . . . 0.0 111.279 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.8 m-20 -88.81 165.69 14.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.823 -0.81 . . . . 0.0 108.866 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.74 -51.57 59.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 111.872 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -129.99 31.75 4.64 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.576 -1.328 . . . . 0.0 113.106 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.75 140.57 47.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.308 . . . . 0.0 108.431 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.457 HD13 ' CE2' ' B' ' 15' ' ' PHE . 5.3 tp -95.1 156.53 16.28 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.572 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.7 p -129.69 164.84 23.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -48.76 -37.51 19.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.688 -1.257 . . . . 0.0 112.186 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 1.8 tmtm? -77.52 -29.74 52.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.05 -1.657 . . . . 0.0 110.151 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.572 ' HB2' ' H ' ' B' ' 29' ' ' SER . 51.4 mt-10 -74.33 -40.85 61.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.641 -1.287 . . . . 0.0 111.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.657 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.1 pp -60.01 -45.59 92.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.724 -1.235 . . . . 0.0 109.173 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.657 ' N ' HD12 ' B' ' 33' ' ' LEU . 75.5 tttt -63.4 -39.06 93.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.865 -0.522 . . . . 0.0 111.246 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' B' ' 31' ' ' LYS . 98.0 m-20 -70.04 -39.96 75.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.844 -1.16 . . . . 0.0 110.871 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -65.86 -39.99 91.25 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.975 0.893 . . . . 0.0 110.618 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.414 HD21 HD23 ' B' ' 45' ' ' LEU . 6.8 tp -78.89 -52.75 7.86 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-O 121.481 0.658 . . . . 0.0 111.928 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.577 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.9 pt20 -62.2 -40.05 94.79 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 122.134 0.969 . . . . 0.0 112.752 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 2.7 t -47.26 -49.27 23.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.342 -0.849 . . . . 0.0 110.712 -175.519 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.434 ' N ' HG23 ' B' ' 39' ' ' THR . 85.6 mt-10 -99.16 -15.01 19.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 0.0 109.942 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 mt -130.23 41.69 3.37 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.577 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.3 m -60.01 -50.37 74.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.214 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -83.93 -18.24 38.01 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.458 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.3 t80 -81.86 -96.34 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 119.991 -1.693 . . . . 0.0 112.007 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.517 HD23 HD12 ' B' ' 81' ' ' LEU . 10.8 mp -40.09 159.37 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.1 t0 -91.38 103.88 16.47 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 122.45 2.386 . . . . 0.0 109.535 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.412 HG11 HD23 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -142.46 -47.15 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.798 -1.189 . . . . 0.0 109.067 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.55 -12.54 51.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.092 -1.005 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 2.4 mmtt -92.61 -18.77 22.64 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.1 m-20 -143.58 93.45 2.47 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.44 64.94 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.98 -38.59 82.99 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.23 85.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.462 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -36.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.087 -1.633 . . . . 0.0 108.161 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.91 -39.98 96.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 110.618 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.89 -40.2 83.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.076 -1.015 . . . . 0.0 110.437 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.436 HG12 HD22 ' Y' ' 8' ' ' ASN . 1.6 mp -70.24 -53.82 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.428 -0.795 . . . . 0.0 110.886 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttt -59.96 -34.61 73.5 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.373 -0.829 . . . . 0.0 109.862 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -59.07 -49.98 75.8 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.905 -1.122 . . . . 0.0 108.608 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.1 -21.83 62.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 0.0 109.257 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' B' ' 63' ' ' GLU . 33.7 mt -88.36 -28.46 20.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.541 -0.724 . . . . 0.0 109.839 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.554 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 12.8 t0 -72.44 50.93 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' B' ' 61' ' ' LEU . 95.1 mt-10 -60.04 -40.99 91.27 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.42 -19.94 59.19 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.52 37.57 35.13 Favored Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 35.2 p-10 -98.13 -4.94 34.63 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.448 -1.03 . . . . 0.0 111.138 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.554 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 74.07 12.7 81.41 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -130.89 174.31 10.1 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -129.98 129.85 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 120.689 -1.257 . . . . 0.0 108.97 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.16 159.07 15.15 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.979 -1.076 . . . . 0.0 108.697 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.14 -27.48 45.74 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.517 ' O ' HG23 ' B' ' 76' ' ' VAL . 62.7 tt0 -74.53 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.099 0.952 . . . . 0.0 108.758 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.5 -48.78 8.09 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.802 0.811 . . . . 0.0 109.835 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.96 -45.76 92.26 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.504 0.668 . . . . 0.0 111.196 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.717 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.5 t -60.07 -39.59 80.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.215 -0.928 . . . . 0.0 109.803 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.0 t -60.07 -40.05 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.835 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.684 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.0 tm? -62.4 -52.39 63.79 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.662 ' O ' HG22 ' B' ' 82' ' ' THR . 13.1 m -58.7 -36.38 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.447 -1.408 . . . . 0.0 109.232 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.703 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-O 121.723 0.773 . . . . 0.0 109.925 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.57 58.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.517 HD12 HD23 ' B' ' 45' ' ' LEU . 21.5 mt -88.84 -48.97 7.1 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 119.829 -1.794 . . . . 0.0 109.446 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.662 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.8 t -46.11 -46.54 17.13 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.85 -1.156 . . . . 0.0 109.648 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.547 HG23 ' N ' ' B' ' 84' ' ' ALA . 27.5 m -59.97 -44.15 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.031 -1.043 . . . . 0.0 110.482 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.547 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.66 -24.93 65.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.244 -0.91 . . . . 0.0 109.384 -179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.33 -34.0 73.96 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.066 -1.021 . . . . 0.0 108.995 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -59.95 -38.4 82.32 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.142 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -82.53 -3.96 56.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.076 -1.015 . . . . 0.0 109.129 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 58.1 t80 -79.47 -4.99 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.233 -0.917 . . . . 0.0 108.979 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 0.0 109.692 -179.719 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' X' X ' 6' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' X' ' 9' ' ' LYS . 74.7 m-20 -147.48 8.06 0.89 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.08 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.686 ' CZ2' ' ND2' ' X' ' 8' ' ' ASN . 35.9 p-90 -55.71 -41.54 73.95 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.686 ' ND2' ' CZ2' ' X' ' 7' ' ' TRP . 14.0 m120 -52.49 -29.32 24.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.168 -1.583 . . . . 0.0 107.573 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' X' ' 12' ' ' SER . 25.0 ttpp -55.28 -23.81 25.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.589 ' N ' ' O ' ' X' ' 7' ' ' TRP . 10.8 tt -50.01 -36.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.566 ' O ' HD13 ' X' ' 11' ' ' LEU . 0.3 OUTLIER -60.02 -39.83 87.2 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.793 178.761 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.538 ' N ' ' O ' ' X' ' 9' ' ' LYS . 19.9 p . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.647 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.506 2.33 0 CA-C-O 121.392 0.615 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Y' ' 6' ' ' ASP . 12.0 t70 -150.04 -4.0 0.37 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.999 0.904 . . . . 0.0 108.574 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.589 ' O ' HG22 ' Y' ' 10' ' ' ILE . 23.3 p-90 -59.94 -47.63 85.01 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.911 -1.118 . . . . 0.0 108.989 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 20.8 t-20 -49.88 -32.32 14.22 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.078 -1.639 . . . . 0.0 109.367 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' Y' ' 12' ' ' SER . 87.5 tttt -59.47 -24.39 63.52 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.589 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.4 tt -47.05 -38.87 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.398 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 7.9 tt -67.33 -40.14 85.89 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.921 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 19.5 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.493 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.443 2.537 . . . . 0.0 119.443 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -79.83 168.53 19.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -1.209 . . . . 0.0 108.752 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 35.7 mp0 -59.87 -49.47 77.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.902 -1.124 . . . . 0.0 111.473 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' HG ' HG21 ' B' ' 14' ' ' VAL . 6.1 mt -59.98 -44.17 94.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.428 -1.42 . . . . 0.0 109.617 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.54 -35.41 77.67 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.087 -1.008 . . . . 0.0 109.96 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.88 -43.87 94.53 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.383 -0.823 . . . . 0.0 110.25 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.498 -0.751 . . . . 0.0 112.318 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 ttt -68.53 -50.69 50.18 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.22 -1.55 . . . . 0.0 109.832 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -70.03 -36.98 75.45 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.813 -0.555 . . . . 0.0 111.084 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 13' ' ' ASN . 2.0 t -60.18 -54.88 40.59 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.138 -1.425 . . . . 0.0 109.176 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' A' ' 10' ' ' THR . 6.9 mp -47.61 -34.72 8.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.444 -1.41 . . . . 0.0 108.503 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -72.35 -23.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.147 -0.971 . . . . 0.0 108.809 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.8 t-20 -77.81 -53.58 7.33 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.352 -0.843 . . . . 0.0 112.026 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 m -72.12 -42.32 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.352 -0.843 . . . . 0.0 111.292 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 5.0 m-30 -60.11 -42.35 94.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.541 -1.349 . . . . 0.0 107.699 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -61.38 -38.85 88.5 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 120.786 -1.196 . . . . 0.0 109.676 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.76 -55.52 33.25 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.432 -0.792 . . . . 0.0 113.064 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' A' ' 36' ' ' LEU . 22.2 m80 -79.04 -43.95 23.19 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.612 -1.305 . . . . 0.0 111.344 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 24' ' ' ASP . 5.6 m -57.5 -31.18 65.76 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.31 9.58 57.68 Favored Glycine 0 N--CA 1.504 3.231 0 O-C-N 120.567 -1.333 . . . . 0.0 110.092 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' GLY . 11.7 ttmm -125.99 -73.65 0.62 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.524 -0.986 . . . . 0.0 108.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 97.1 mt-10 -69.62 42.73 0.05 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.91 -1.119 . . . . 0.0 110.277 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . 173.47 -141.52 6.12 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 119.449 -1.358 . . . . 0.0 110.856 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 19' ' ' SER . 96.3 m-20 -88.98 170.09 10.98 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -59.55 -49.39 77.96 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 112.093 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -125.4 28.35 6.31 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.306 -1.497 . . . . 0.0 112.834 -177.059 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -133.9 141.07 47.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.559 -1.338 . . . . 0.0 108.708 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tp -91.79 155.77 18.0 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.542 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 35.3 t -129.32 160.62 32.45 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.203 -0.936 . . . . 0.0 109.258 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.98 -42.31 5.92 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.133 -0.98 . . . . 0.0 111.839 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -77.08 -25.61 52.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.596 -1.94 . . . . 0.0 110.863 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.542 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -73.9 -43.4 58.58 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.727 -1.233 . . . . 0.0 111.115 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.3 pp -59.88 -42.67 94.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.769 -1.207 . . . . 0.0 108.073 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.706 ' N ' HD12 ' A' ' 33' ' ' LEU . 79.3 tttt -60.02 -41.06 91.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.271 -178.34 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -63.4 -44.83 93.56 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.557 HD21 ' ND1' ' A' ' 18' ' ' HIS . 58.3 mt -71.59 -39.98 70.18 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 119.588 -1.945 . . . . 0.0 111.524 -178.285 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.23 -46.55 70.22 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.035 -1.041 . . . . 0.0 112.645 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 39' ' ' THR . 16.2 pt20 -71.35 -40.96 70.36 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 122.164 0.983 . . . . 0.0 112.069 -177.801 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.495 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.3 m -59.95 -44.39 94.42 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.323 -175.349 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 35.3 mp0 -99.41 -17.52 17.94 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.009 -1.057 . . . . 0.0 111.791 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.718 HD13 HD23 ' A' ' 45' ' ' LEU . 81.6 mt -134.96 52.06 2.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.883 -1.135 . . . . 0.0 110.818 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.547 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 58.1 m -61.92 -45.46 93.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.877 -1.139 . . . . 0.0 110.195 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -66.06 -40.05 90.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 111.561 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.644 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.2 t80 -91.49 -104.75 0.1 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.858 -1.151 . . . . 0.0 111.513 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.718 HD23 HD13 ' A' ' 41' ' ' LEU . 3.8 mm? -8.5 138.95 0.0 OUTLIER 'General case' 0 N--CA 1.528 3.45 0 CA-C-O 115.776 -2.059 . . . . 0.0 110.205 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 12.8 p30 -88.77 124.57 34.27 Favored 'General case' 0 N--CA 1.518 2.969 1 CA-C-N 126.882 4.401 . . . . 0.0 110.043 176.017 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 48' ' ' GLN . 57.8 t -151.63 -94.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.704 -1.248 . . . . 0.0 110.992 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.422 ' N ' HG12 ' A' ' 47' ' ' VAL . 96.3 mt-30 -60.39 -40.37 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.88 . . . . 0.0 112.337 -177.534 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.692 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.32 -17.15 62.24 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -148.54 91.26 1.87 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.08 76.55 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 19.9 t0 -56.36 -37.82 70.57 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.19 96.66 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.318 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -33.29 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.019 -1.675 . . . . 0.0 108.107 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -68.99 -39.28 79.47 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.445 -0.784 . . . . 0.0 110.741 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' CG ' ' A' ' 52' ' ' ASP . 61.4 mttp -69.28 -39.89 78.1 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.055 -1.028 . . . . 0.0 110.789 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.59 -55.7 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.367 -0.833 . . . . 0.0 109.553 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 1.4 ttt -60.1 -36.69 77.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.0 109.831 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.87 -44.93 93.89 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.04 -25.93 67.27 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.6 mt -90.66 -27.79 18.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.411 -0.805 . . . . 0.0 109.754 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 58' ' ' MET . 90.1 m-20 -72.09 49.02 0.18 Allowed 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 61' ' ' LEU . 43.7 mt-10 -59.88 -42.21 93.29 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -74.44 -20.75 59.91 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.06 39.97 22.09 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.14 -7.31 32.9 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.502 -0.999 . . . . 0.0 112.437 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.57 6.91 82.34 Favored Glycine 0 N--CA 1.502 3.045 0 O-C-N 120.694 -1.254 . . . . 0.0 110.125 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -131.71 175.96 8.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.08 130.38 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 0 O-C-N 120.68 -1.263 . . . . 0.0 108.965 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 38.0 t0 -93.57 167.95 11.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 0.0 108.776 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -59.94 -37.79 80.55 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -178.317 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.611 ' O ' HG23 ' A' ' 76' ' ' VAL . 60.4 tt0 -69.52 -24.2 63.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -85.62 -51.09 6.71 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.801 0.81 . . . . 0.0 110.304 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 1.3 t80 -63.0 -46.86 85.64 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.777 0.798 . . . . 0.0 111.25 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.695 HG12 ' HB1' ' B' ' 79' ' ' ALA . 50.6 t -60.24 -38.26 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.604 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.1 t -57.9 -40.04 74.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.974 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.708 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.1 tm? -60.43 -51.09 70.97 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.218 -0.926 . . . . 0.0 112.603 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.54 -28.64 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.484 -1.385 . . . . 0.0 109.504 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.665 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -71.67 -34.88 70.07 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.271 -0.893 . . . . 0.0 110.138 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.0 -20.76 26.78 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -176.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.11 HD13 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -81.62 -31.27 32.53 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.38 -2.075 . . . . 0.0 108.394 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 1.11 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.6 t -72.23 -42.87 65.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.09 -1.006 . . . . 0.0 110.923 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 79' ' ' ALA . 18.6 m -60.06 -44.84 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.883 -1.135 . . . . 0.0 108.995 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.595 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -66.83 -30.34 70.5 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.568 0.699 . . . . 0.0 109.311 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.37 -39.98 94.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.509 -0.744 . . . . 0.0 109.161 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.81 -32.79 72.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.823 . . . . 0.0 109.421 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -59.88 -39.91 86.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.98 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -84.25 -6.98 59.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.936 -1.103 . . . . 0.0 109.997 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.814 -1.179 . . . . 0.0 109.038 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.782 -0.574 . . . . 0.0 110.954 -178.373 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 36.8 mp0 -59.89 -49.54 77.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.815 -1.178 . . . . 0.0 111.58 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.99 -43.88 94.86 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.396 -1.44 . . . . 0.0 109.752 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.75 -35.2 77.43 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.996 -1.065 . . . . 0.0 109.928 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.94 -44.08 94.59 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.422 -0.799 . . . . 0.0 110.294 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -70.24 -28.91 65.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.654 -0.654 . . . . 0.0 112.286 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.52 -50.78 49.48 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.363 -1.46 . . . . 0.0 109.778 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.0 -36.95 75.54 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.85 -0.531 . . . . 0.0 111.19 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.543 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.9 t -60.17 -54.66 43.19 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.28 -1.368 . . . . 0.0 109.277 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 6.9 mp -48.01 -34.26 9.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.358 -1.464 . . . . 0.0 108.588 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -72.81 -23.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.103 -0.998 . . . . 0.0 108.785 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 10' ' ' THR . 19.1 t-20 -77.69 -53.13 7.91 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.364 -0.835 . . . . 0.0 112.026 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.434 HG21 ' HG ' ' A' ' 4' ' ' LEU . 28.5 m -72.72 -42.24 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 111.195 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.643 ' CZ ' ' CE2' ' B' ' 74' ' ' PHE . 5.0 m-30 -60.1 -42.45 94.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.556 -1.34 . . . . 0.0 107.504 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -61.2 -39.19 89.27 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.695 -1.253 . . . . 0.0 109.62 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.7 31.32 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 0.0 113.022 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.555 ' ND1' HD21 ' B' ' 36' ' ' LEU . 21.8 m80 -78.91 -44.05 23.49 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.604 -1.31 . . . . 0.0 111.424 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 24' ' ' ASP . 6.0 m -57.5 -30.97 65.55 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.47 9.26 57.29 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.573 -1.33 . . . . 0.0 110.201 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' B' ' 23' ' ' GLY . 12.4 ttmm -125.96 -73.53 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.582 -0.952 . . . . 0.0 108.923 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' B' ' 32' ' ' GLU . 96.4 mt-10 -69.35 42.23 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.886 -1.134 . . . . 0.0 110.411 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . 173.83 -141.3 5.94 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.886 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . 94.9 m-20 -89.21 170.15 10.84 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.864 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -59.54 -49.77 76.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.955 -1.091 . . . . 0.0 112.046 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -125.14 28.39 6.39 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.326 -1.484 . . . . 0.0 112.857 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -133.94 140.72 46.95 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.53 -1.356 . . . . 0.0 108.569 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -91.35 156.24 17.91 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.51 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.1 t -129.5 160.86 31.87 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.163 -0.96 . . . . 0.0 109.066 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.8 -41.85 7.32 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.853 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -77.06 -25.71 52.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 119.576 -1.952 . . . . 0.0 110.776 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.51 ' HB2' ' H ' ' B' ' 29' ' ' SER . 50.5 mt-10 -73.93 -43.03 59.65 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.619 -1.301 . . . . 0.0 111.134 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.713 HD12 ' N ' ' B' ' 34' ' ' LYS . 4.3 pp -60.02 -42.54 94.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 108.098 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.713 ' N ' HD12 ' B' ' 33' ' ' LEU . 81.3 tttt -60.08 -41.02 91.56 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.148 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -63.38 -45.32 91.64 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.555 HD21 ' ND1' ' B' ' 18' ' ' HIS . 61.6 mt -71.19 -39.88 71.54 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 119.653 -1.904 . . . . 0.0 111.558 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.66 -46.26 69.59 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.139 -0.975 . . . . 0.0 112.68 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.51 ' CG ' ' N ' ' B' ' 39' ' ' THR . 16.3 pt20 -71.41 -41.02 70.1 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.319 1.057 . . . . 0.0 111.983 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.51 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.0 m -59.91 -44.6 94.19 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.32 -175.215 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.467 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 34.9 mp0 -99.35 -17.02 18.23 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.033 -1.042 . . . . 0.0 111.889 -177.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.712 HD13 HD23 ' B' ' 45' ' ' LEU . 77.7 mt -135.3 52.13 2.04 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.026 -1.047 . . . . 0.0 110.743 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.54 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 61.9 m -62.17 -45.2 94.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.952 -1.092 . . . . 0.0 110.118 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 73.4 m -66.15 -39.91 90.16 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.283 -0.885 . . . . 0.0 111.531 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' B' ' 45' ' ' LEU . 4.7 t80 -92.19 -91.99 0.16 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.954 -1.091 . . . . 0.0 112.865 -177.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.712 HD23 HD13 ' B' ' 41' ' ' LEU . 3.4 mm? -31.35 146.12 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.03 0 CA-C-O 117.384 -1.294 . . . . 0.0 109.02 -174.292 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 18.1 p-10 -88.99 123.25 33.14 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 124.5 3.318 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.428 HG12 ' N ' ' B' ' 48' ' ' GLN . 59.8 t -151.69 -94.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 120.788 -1.195 . . . . 0.0 110.793 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.428 ' N ' HG12 ' B' ' 47' ' ' VAL . 96.6 mt-30 -60.1 -40.11 88.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 112.492 -177.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.69 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -63.73 -17.4 62.98 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -148.14 91.45 1.92 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.04 76.11 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.479 ' CG ' ' NZ ' ' B' ' 56' ' ' LYS . 18.3 t0 -56.56 -38.58 72.11 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.79 98.88 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.074 -176.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -33.42 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.217 -1.552 . . . . 0.0 108.327 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -69.07 -39.74 78.92 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.416 -0.803 . . . . 0.0 110.693 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.479 ' NZ ' ' CG ' ' B' ' 52' ' ' ASP . 59.6 mttp -68.69 -40.0 80.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.051 -1.031 . . . . 0.0 110.744 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.85 -55.59 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.375 -0.828 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.502 ' O ' ' N ' ' B' ' 62' ' ' ASP . 1.5 ttt -59.98 -36.85 78.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.468 -0.77 . . . . 0.0 109.939 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -59.73 -44.63 93.67 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.13 -23.8 66.77 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 63' ' ' GLU . 33.7 mt -92.48 -27.72 17.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.451 -0.78 . . . . 0.0 109.453 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 58' ' ' MET . 89.7 m-20 -72.28 49.11 0.19 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' B' ' 61' ' ' LEU . 44.1 mt-10 -60.05 -42.23 94.04 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -74.43 -20.85 59.89 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.12 39.94 21.96 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 107.774 -2.13 . . . . 0.0 107.774 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -97.09 -7.6 32.3 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 121.508 -0.995 . . . . 0.0 112.336 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.24 7.61 82.44 Favored Glycine 0 N--CA 1.501 3.007 0 O-C-N 120.705 -1.247 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -131.89 176.01 8.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.05 130.29 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 O-C-N 120.639 -1.288 . . . . 0.0 109.067 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 38.4 t0 -93.71 167.74 11.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.789 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.419 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -59.66 -37.42 78.69 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.313 -178.254 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.608 ' O ' HG23 ' B' ' 76' ' ' VAL . 58.7 tt0 -69.93 -24.4 63.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -85.47 -51.05 6.79 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.123 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.643 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 1.3 t80 -62.9 -46.86 85.85 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.792 0.806 . . . . 0.0 111.236 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.665 HG12 ' HB1' ' A' ' 79' ' ' ALA . 55.0 t -59.93 -38.74 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.104 -0.998 . . . . 0.0 110.667 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.1 t -57.67 -39.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 C-N-CA 118.961 -1.095 . . . . 0.0 109.139 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.709 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.1 tm? -60.19 -51.81 67.99 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.205 -0.935 . . . . 0.0 112.349 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -62.78 -29.38 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.605 -1.309 . . . . 0.0 109.695 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.695 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -71.44 -34.87 70.66 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.326 -0.859 . . . . 0.0 110.084 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.546 ' HB3' HD11 ' Y' ' 11' ' ' LEU . . . -86.66 -20.92 27.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.439 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 1.107 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -81.98 -31.35 31.17 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 119.388 -2.07 . . . . 0.0 108.348 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 1.107 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.6 t -72.13 -42.57 65.86 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.982 -1.074 . . . . 0.0 110.944 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.655 HG13 ' O ' ' B' ' 79' ' ' ALA . 18.1 m -60.16 -45.05 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.966 -1.084 . . . . 0.0 109.116 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.606 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -67.54 -29.4 68.78 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.465 0.65 . . . . 0.0 109.306 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.39 -39.91 94.79 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.456 -0.778 . . . . 0.0 109.136 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -61.01 -32.89 72.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.343 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.84 -39.6 85.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.256 -0.903 . . . . 0.0 108.925 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -84.49 -6.9 59.41 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.924 -1.11 . . . . 0.0 109.983 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.06 -35.46 66.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.901 -1.124 . . . . 0.0 109.021 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 . . . . . 0 N--CA 1.488 1.473 0 O-C-N 121.784 -0.572 . . . . 0.0 110.868 -178.426 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.45 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 3.4 pt . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -109.93 17.72 20.84 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.034 -1.041 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.582 ' O ' HG22 ' X' ' 10' ' ' ILE . 62.1 t90 -59.88 -47.52 85.43 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.172 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.73 ' CG ' HD11 ' A' ' 57' ' ' ILE . 7.8 t-20 -50.76 -33.36 22.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 119.893 -1.754 . . . . 0.0 109.116 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.92 -25.28 65.01 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.582 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.8 tt -50.77 -43.22 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.4 tp -71.04 -41.13 71.2 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.08 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.448 ' O ' ' O ' ' X' ' 11' ' ' LEU . 3.1 t . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.161 -0.923 . . . . 0.0 109.649 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.409 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.9 pt . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -108.78 16.99 22.34 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.901 0.857 . . . . 0.0 108.79 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.625 ' O ' HG22 ' Y' ' 10' ' ' ILE . 56.4 t90 -59.89 -49.95 75.67 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 110.585 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.655 ' CG ' HD11 ' B' ' 57' ' ' ILE . 7.9 t-20 -52.07 -31.23 29.43 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 119.622 -1.923 . . . . 0.0 108.987 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.94 -23.89 63.92 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.625 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.96 -37.38 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.599 ' O ' HD23 ' Y' ' 11' ' ' LEU . 3.0 tt -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.588 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.93 0 N-CA-C 120.046 2.778 . . . . 0.0 120.046 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -86.93 36.34 0.72 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.474 -1.016 . . . . 0.0 110.126 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.28 -42.61 95.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.06 -1.025 . . . . 0.0 110.974 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 58.5 tp -62.33 -42.31 99.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.6 -1.312 . . . . 0.0 109.79 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.66 -38.62 85.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.119 -0.988 . . . . 0.0 109.238 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.5 m -48.75 -45.75 40.14 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 122.072 0.939 . . . . 0.0 110.213 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -28.61 64.56 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.2 ttt -70.31 -52.15 24.96 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.057 -1.652 . . . . 0.0 110.916 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.54 -29.49 70.12 Favored 'General case' 0 C--N 1.289 -2.022 0 O-C-N 121.623 -0.673 . . . . 0.0 110.303 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.52 -58.65 6.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.983 . . . . 0.0 110.239 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.46 -40.06 61.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.384 -1.448 . . . . 0.0 110.047 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.54 -39.44 85.6 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 O-C-N 120.996 -1.065 . . . . 0.0 112.0 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -79.02 -44.76 21.6 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.042 -1.661 . . . . 0.0 112.451 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.9 p -59.93 -40.65 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.825 -1.172 . . . . 0.0 109.145 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 40.8 t80 -62.52 -40.4 96.61 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.711 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.0 -27.25 64.54 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.493 -1.379 . . . . 0.0 109.718 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -55.67 31.5 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.416 -0.802 . . . . 0.0 112.465 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.892 ' NE2' HD11 ' A' ' 28' ' ' LEU . 7.8 p-80 -86.66 -38.83 16.66 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.278 -0.889 . . . . 0.0 111.32 -178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.457 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 46.7 m -54.16 -29.09 44.3 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 112.372 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.56 11.04 25.86 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.87 -1.144 . . . . 0.0 112.574 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -114.82 -73.49 0.65 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 119.361 1.58 . . . . 0.0 108.884 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -87.69 76.46 8.84 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.45 -153.85 25.15 Favored Glycine 0 N--CA 1.488 2.112 0 C-N-CA 119.487 -1.339 . . . . 0.0 111.065 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -75.47 157.24 34.31 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.678 0.752 . . . . 0.0 110.239 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' H ' ' CD ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -56.05 -50.74 70.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.591 -0.693 . . . . 0.0 111.994 -177.244 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 41.5 t80 -134.69 37.67 3.08 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.556 -1.34 . . . . 0.0 111.222 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -139.86 142.82 36.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.906 -1.121 . . . . 0.0 108.675 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.892 HD11 ' NE2' ' A' ' 18' ' ' HIS . 4.1 tp -92.51 150.24 20.88 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.493 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 59.9 m -129.65 166.7 19.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.909 -1.12 . . . . 0.0 108.294 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -46.44 -32.77 3.49 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.628 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -82.85 -38.39 23.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.757 -1.215 . . . . 0.0 111.232 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HB2' ' H ' ' A' ' 29' ' ' SER . 34.4 mt-10 -70.03 -39.94 75.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.119 -1.613 . . . . 0.0 109.798 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.7 pp -59.37 -52.17 66.76 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.472 -1.392 . . . . 0.0 110.507 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.753 ' N ' HD12 ' A' ' 33' ' ' LEU . 78.2 tttt -60.12 -40.15 88.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.746 -1.221 . . . . 0.0 112.369 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 51.1 t0 -62.38 -40.73 97.4 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.017 -1.052 . . . . 0.0 110.589 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 18' ' ' HIS . 44.7 tp -59.99 -49.6 77.04 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.724 -0.61 . . . . 0.0 111.893 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.837 HD12 HD22 ' A' ' 45' ' ' LEU . 4.0 mm? -70.3 -40.41 74.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.912 -1.118 . . . . 0.0 112.884 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.55 -23.09 59.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 112.619 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.7 m -59.59 -45.44 91.87 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.809 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' C ' HD12 ' A' ' 41' ' ' LEU . 60.2 mt-10 -107.01 -39.54 5.72 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.46 -0.775 . . . . 0.0 111.361 -177.768 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.1 mp -99.47 42.58 1.1 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.904 -1.122 . . . . 0.0 108.782 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -60.07 -45.24 93.55 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.499 0.666 . . . . 0.0 109.982 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.0 t -85.03 -20.07 31.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.474 -0.766 . . . . 0.0 111.873 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.68 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 1.9 t80 -89.0 -105.09 0.09 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.491 -1.381 . . . . 0.0 111.483 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.837 HD22 HD12 ' A' ' 37' ' ' LEU . 1.4 tp -13.08 150.78 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.93 0 CA-C-O 117.435 -1.269 . . . . 0.0 110.24 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.45 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 33.5 t0 -93.75 103.69 15.81 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 124.271 3.214 . . . . 0.0 109.089 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -142.39 -56.32 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 O-C-N 120.348 -1.47 . . . . 0.0 110.212 179.123 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.5 pt20 -81.55 -35.93 29.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.776 -1.202 . . . . 0.0 109.727 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.644 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -68.37 -22.57 64.65 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.09 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 46' ' ' ASP . 76.9 m-20 -141.65 91.95 2.41 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.52 69.98 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.86 -38.57 82.5 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.75 76.46 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.826 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -39.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.484 -1.385 . . . . 0.0 107.934 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -61.1 -39.97 91.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.257 -0.902 . . . . 0.0 110.658 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.76 -40.04 94.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.514 -1.366 . . . . 0.0 109.425 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.73 HD11 ' CG ' ' X' ' 8' ' ' ASN . 49.2 mt -70.95 -51.3 36.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.534 0.683 . . . . 0.0 111.699 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.1 tpt -60.27 -42.76 96.07 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 121.057 -1.027 . . . . 0.0 110.041 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -43.51 98.72 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.09 -28.41 67.8 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.8 mt -94.76 -20.02 19.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.553 -0.717 . . . . 0.0 110.73 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' MET . 95.2 m-20 -74.28 41.87 0.15 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.648 -1.282 . . . . 0.0 107.998 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 61' ' ' LEU . 100.0 mt-10 -59.76 -40.38 87.98 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.564 -0.854 . . . . 0.0 108.849 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.88 -19.42 61.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.68 32.44 64.23 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -93.43 -6.43 47.06 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.439 -1.036 . . . . 0.0 111.894 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.99 5.84 66.31 Favored Glycine 0 N--CA 1.499 2.862 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.86 175.48 8.01 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.519 ' HB ' HD23 ' A' ' 28' ' ' LEU . 5.7 t -135.44 130.47 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 O-C-N 120.422 -1.424 . . . . 0.0 109.104 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.548 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -97.73 155.62 16.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.693 -1.254 . . . . 0.0 108.867 -179.66 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 24.5 t80 -52.51 -22.77 5.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 76' ' ' VAL . 61.7 tt0 -80.69 -22.5 40.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.843 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' HD22 ' A' ' 61' ' ' LEU . 76.3 mt-10 -80.8 -52.03 7.96 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.49 -0.756 . . . . 0.0 109.552 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.85 -40.96 45.93 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.319 -0.953 . . . . 0.0 111.558 -178.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.56 HG12 ' HB1' ' B' ' 79' ' ' ALA . 58.9 t -53.94 -38.97 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 119.995 -1.691 . . . . 0.0 108.032 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -59.99 -37.15 71.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -69.98 -55.97 8.22 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -177.063 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.768 ' O ' HG22 ' A' ' 82' ' ' THR . 16.3 m -49.85 -36.39 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 120.513 -1.367 . . . . 0.0 107.725 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -63.3 -38.38 90.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -78.66 -24.25 45.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 45' ' ' LEU . 82.1 mt -85.83 -46.36 10.71 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 119.513 -1.992 . . . . 0.0 109.429 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 78' ' ' VAL . 4.8 t -57.49 -42.02 81.84 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.331 -0.856 . . . . 0.0 111.069 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 79' ' ' ALA . 31.0 m -60.05 -42.81 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.58 -1.325 . . . . 0.0 108.717 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.589 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.56 -31.03 70.16 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.05 -39.65 82.97 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.51 -0.744 . . . . 0.0 109.993 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' ND2' ' OH ' ' B' ' 26' ' ' TYR . 57.9 t-20 -60.16 -39.5 86.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.093 -1.005 . . . . 0.0 108.804 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.25 -39.77 87.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.064 -1.022 . . . . 0.0 109.456 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 61.1 t80 -83.17 -4.45 58.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.417 -0.802 . . . . 0.0 109.647 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -80.76 -9.01 59.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.949 . . . . 0.0 109.127 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 t90 . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.318 -0.864 . . . . 0.0 109.73 -179.592 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.27 -42.35 95.22 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.194 -0.942 . . . . 0.0 110.932 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.483 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 59.9 tp -62.9 -41.95 99.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.65 -1.281 . . . . 0.0 109.716 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.38 -39.14 86.21 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.142 -0.974 . . . . 0.0 109.315 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -48.45 -45.82 37.0 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 122.027 0.918 . . . . 0.0 110.198 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.44 -29.13 65.63 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.5 ttt -70.73 -51.8 25.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.085 -1.635 . . . . 0.0 110.968 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.94 -28.43 68.91 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.545 -0.722 . . . . 0.0 110.302 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -58.51 6.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 110.151 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -52.46 -39.79 61.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.38 -1.45 . . . . 0.0 109.969 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.8 -39.89 87.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 120.949 -1.095 . . . . 0.0 112.131 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -78.97 -44.11 23.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.054 -1.654 . . . . 0.0 112.46 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.476 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.9 p -60.7 -40.17 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.801 -1.187 . . . . 0.0 108.889 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.588 ' CZ ' HD13 ' B' ' 28' ' ' LEU . 42.4 t80 -62.65 -40.15 96.12 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.705 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -70.09 -27.76 64.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.447 -1.408 . . . . 0.0 109.695 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.7 30.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.37 -0.832 . . . . 0.0 112.544 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.914 ' NE2' HD11 ' B' ' 28' ' ' LEU . 7.8 p-80 -86.46 -39.01 16.73 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.33 -0.856 . . . . 0.0 111.339 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' B' ' 18' ' ' HIS . 45.7 m -54.03 -29.29 43.17 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.382 -0.824 . . . . 0.0 112.632 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 11.26 25.67 Favored Glycine 0 N--CA 1.508 3.454 0 O-C-N 120.875 -1.141 . . . . 0.0 112.42 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -115.01 -73.38 0.65 Allowed 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 119.352 1.576 . . . . 0.0 108.931 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -87.75 75.81 8.89 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.016 -1.053 . . . . 0.0 108.234 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.56 -153.77 25.06 Favored Glycine 0 N--CA 1.487 2.042 0 C-N-CA 119.45 -1.357 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -75.94 157.49 33.12 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.877 -0.778 . . . . 0.0 110.248 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.426 ' H ' ' CD ' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -55.86 -50.79 69.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.646 -0.659 . . . . 0.0 112.0 -177.287 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 42.8 t80 -134.67 37.34 3.09 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.44 -1.412 . . . . 0.0 111.242 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.428 ' HZ2' ' H ' ' B' ' 28' ' ' LEU . 1.0 OUTLIER -139.52 142.84 37.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.01 -1.056 . . . . 0.0 108.717 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.914 HD11 ' NE2' ' B' ' 18' ' ' HIS . 4.1 tp -92.4 150.25 20.92 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.48 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 51.2 m -129.7 166.69 19.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.977 -1.077 . . . . 0.0 108.256 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -46.45 -33.0 3.63 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.067 -1.021 . . . . 0.0 109.567 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -82.95 -38.01 23.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.671 -1.268 . . . . 0.0 111.161 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' B' ' 29' ' ' SER . 33.6 mt-10 -70.21 -39.71 74.97 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 119.946 -1.721 . . . . 0.0 109.791 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.773 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.7 pp -59.56 -51.72 68.61 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.53 -1.356 . . . . 0.0 110.262 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.773 ' N ' HD12 ' B' ' 33' ' ' LEU . 76.3 tttt -60.32 -40.38 90.37 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.875 -1.141 . . . . 0.0 112.367 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 51.5 t0 -62.44 -40.45 96.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.996 -1.065 . . . . 0.0 110.676 -178.016 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' B' ' 18' ' ' HIS . 44.5 tp -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.673 -0.642 . . . . 0.0 111.678 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.744 HD12 HD22 ' B' ' 45' ' ' LEU . 4.0 mm? -70.25 -40.87 74.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.855 -1.153 . . . . 0.0 112.821 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.1 -22.87 60.48 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.024 -1.048 . . . . 0.0 112.651 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.2 m -59.62 -45.76 90.98 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 117.914 -1.514 . . . . 0.0 108.712 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.5 ' C ' HD12 ' B' ' 41' ' ' LEU . 61.7 mt-10 -106.96 -38.72 5.96 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.283 -0.886 . . . . 0.0 111.407 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.665 ' N ' HD12 ' B' ' 41' ' ' LEU . 8.2 mp -99.84 42.43 1.11 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.869 -1.144 . . . . 0.0 108.801 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.407 ' OG ' ' OE1' ' B' ' 48' ' ' GLN . 0.3 OUTLIER -60.02 -45.22 93.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.458 0.647 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.3 t -85.16 -19.5 31.68 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.474 -0.766 . . . . 0.0 111.863 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 1.9 t80 -89.72 -92.16 0.13 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.469 -1.395 . . . . 0.0 113.318 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.744 HD22 HD12 ' B' ' 37' ' ' LEU . 2.0 tp -36.91 157.4 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.403 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 33.2 t0 -93.54 102.84 15.05 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 122.437 2.38 . . . . 0.0 108.888 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -142.68 -55.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 O-C-N 120.586 -1.321 . . . . 0.0 110.065 179.249 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.462 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.3 pt20 -82.22 -35.92 27.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.764 -1.21 . . . . 0.0 109.772 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.644 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -68.92 -22.27 64.16 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.091 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 76.9 m-20 -141.42 91.91 2.42 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.87 70.22 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.95 -38.71 83.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.27 77.09 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.64 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -38.9 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.318 -1.488 . . . . 0.0 107.96 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -61.3 -40.14 93.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.329 -0.857 . . . . 0.0 110.793 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.49 -40.06 94.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.436 -1.415 . . . . 0.0 109.477 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.655 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 41.5 mt -70.8 -51.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.461 0.648 . . . . 0.0 111.789 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.421 ' O ' ' N ' ' B' ' 62' ' ' ASP . 3.0 tpt -60.65 -42.37 96.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.042 -1.036 . . . . 0.0 109.976 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.38 98.97 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.95 -26.43 67.52 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' B' ' 63' ' ' GLU . 42.6 mt -96.27 -20.19 18.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 110.488 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' B' ' 58' ' ' MET . 94.5 m-20 -74.31 42.1 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.78 -1.2 . . . . 0.0 108.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -60.07 -40.08 88.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.8 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.94 -19.17 61.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.59 32.38 64.53 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -93.91 -6.35 45.81 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.345 -1.091 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.55 6.56 66.54 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -127.0 175.13 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.505 ' HB ' HD23 ' B' ' 28' ' ' LEU . 5.3 t -134.96 130.75 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 O-C-N 120.258 -1.526 . . . . 0.0 109.064 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 70' ' ' ASP . 0.9 OUTLIER -97.82 155.7 16.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.677 -1.264 . . . . 0.0 108.735 -179.655 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 26.5 t80 -52.65 -22.74 5.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.563 -0.711 . . . . 0.0 109.304 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.459 ' O ' HG23 ' B' ' 76' ' ' VAL . 61.7 tt0 -80.64 -22.52 40.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.865 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.415 ' O ' HD22 ' B' ' 61' ' ' LEU . 77.9 mt-10 -81.11 -51.33 8.58 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.288 -0.882 . . . . 0.0 109.626 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -76.94 -41.68 42.35 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.343 -178.856 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.562 HG12 ' HB1' ' A' ' 79' ' ' ALA . 78.4 t -53.83 -38.67 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.041 -1.662 . . . . 0.0 108.104 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.9 t -60.05 -37.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.667 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' B' ' 80' ' ' ALA . 0.5 OUTLIER -69.96 -55.97 8.24 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -177.182 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.724 ' O ' HG22 ' B' ' 82' ' ' THR . 17.3 m -49.95 -35.54 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 120.602 -1.311 . . . . 0.0 107.607 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.58 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -63.17 -39.58 95.07 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 176.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -78.11 -24.29 47.57 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.502 HD13 HD11 ' B' ' 45' ' ' LEU . 81.0 mt -85.54 -47.12 10.19 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 119.577 -1.952 . . . . 0.0 109.559 -178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.724 HG22 ' O ' ' B' ' 78' ' ' VAL . 5.1 t -56.59 -42.18 78.25 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.396 -0.815 . . . . 0.0 110.953 178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.58 HG13 ' O ' ' B' ' 79' ' ' ALA . 28.4 m -60.18 -43.27 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.551 -1.343 . . . . 0.0 108.733 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.562 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.87 -30.61 70.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.488 -0.757 . . . . 0.0 108.987 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.2 -39.22 82.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.509 -0.745 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.412 ' ND2' ' OH ' ' A' ' 26' ' ' TYR . 57.8 t-20 -60.14 -39.52 86.6 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 108.921 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.121 -0.987 . . . . 0.0 109.398 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.443 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 63.7 t80 -82.94 -4.29 58.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.53 -0.731 . . . . 0.0 109.684 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -81.19 -8.99 59.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.124 -0.985 . . . . 0.0 109.071 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.2 t90 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.367 -0.833 . . . . 0.0 109.706 -179.71 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.401 HD13 HG21 ' X' ' 5' ' ' ILE . 8.5 pt . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.889 0.852 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -120.8 28.18 8.08 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.667 ' O ' HG22 ' X' ' 10' ' ' ILE . 61.8 t90 -59.98 -50.25 74.48 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.134 -0.979 . . . . 0.0 111.398 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.738 ' OD1' HD11 ' A' ' 57' ' ' ILE . 13.3 t-20 -52.88 -27.94 20.88 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 119.275 -2.141 . . . . 0.0 107.884 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -24.59 63.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.667 HG22 ' O ' ' X' ' 7' ' ' TRP . 6.6 tt -53.29 -37.06 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 53.7 tp -65.68 -41.1 92.84 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.941 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.048 179.539 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 24.2 pt . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -132.52 21.84 4.32 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.297 -0.877 . . . . 0.0 109.575 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.663 ' O ' HG22 ' Y' ' 10' ' ' ILE . 20.5 p-90 -58.82 -40.25 83.6 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.713 -1.242 . . . . 0.0 108.056 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.613 ' OD1' HD11 ' B' ' 57' ' ' ILE . 22.8 t-20 -51.25 -30.55 18.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.072 -1.642 . . . . 0.0 107.846 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' Y' ' 12' ' ' SER . 56.9 tttm -59.79 -24.91 64.5 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.663 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -49.04 -40.08 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 64.0 tp -63.5 -40.05 96.04 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . 0.473 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.9 m . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.275 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.484 2.553 . . . . 0.0 119.484 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -102.08 22.32 13.34 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.462 -1.022 . . . . 0.0 109.568 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.38 89.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.038 -1.039 . . . . 0.0 110.683 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.4 -41.83 98.97 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.454 -1.404 . . . . 0.0 108.866 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.96 -38.99 87.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.528 -0.732 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.0 m -52.7 -44.56 66.37 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.475 0.655 . . . . 0.0 110.5 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.4 65.53 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ttt -71.33 -49.31 43.85 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.26 -1.525 . . . . 0.0 110.784 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.93 -24.6 63.39 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.686 -0.634 . . . . 0.0 110.577 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.693 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -68.44 -58.99 3.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 109.998 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 7.2 mp -47.91 -36.57 12.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.504 -1.372 . . . . 0.0 109.105 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.33 -39.97 79.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 O-C-N 121.387 -0.82 . . . . 0.0 112.26 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -83.57 -43.63 15.48 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 119.703 -1.873 . . . . 0.0 113.295 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 10' ' ' THR . 2.2 p -62.29 -41.86 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.312 -1.492 . . . . 0.0 109.014 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.658 ' CD1' HG13 ' A' ' 14' ' ' VAL . 7.8 m-30 -63.04 -39.37 94.55 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.125 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -60.21 -39.97 88.45 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.93 -1.106 . . . . 0.0 109.857 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.5 -55.39 16.24 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.902 . . . . 0.0 112.557 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.52 -41.23 55.72 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.993 -1.067 . . . . 0.0 111.371 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.9 t -62.35 -23.54 66.84 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.475 -0.766 . . . . 0.0 112.417 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.39 2.2 32.77 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.658 ' C ' ' H ' ' A' ' 23' ' ' GLY . 35.4 ttmt -124.65 -75.9 0.59 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.533 -0.981 . . . . 0.0 108.999 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -57.29 15.26 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.8 -1.187 . . . . 0.0 110.716 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.658 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -166.65 163.84 37.28 Favored Glycine 0 N--CA 1.485 1.911 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 31.2 t0 -77.72 162.17 27.18 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.503 -0.998 . . . . 0.0 108.64 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 27.7 tptp -67.76 84.45 0.2 Allowed 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ASP . 58.3 t80 -146.89 -55.0 0.24 Allowed 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.903 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -178.72 -176.35 0.46 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 tp -87.18 105.19 17.03 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.611 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 60.4 m -70.45 156.01 39.93 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.168 -1.583 . . . . 0.0 108.118 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.0 tttt -42.94 -30.35 0.4 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.594 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -25.54 28.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.654 -1.279 . . . . 0.0 109.643 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' A' ' 29' ' ' SER . 36.6 mt-10 -69.98 -42.42 73.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.804 -1.185 . . . . 0.0 109.898 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.8 pp -65.18 -41.7 94.36 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.103 0.954 . . . . 0.0 109.765 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.614 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.1 tttt -61.57 -46.88 88.01 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.59 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -68.61 -38.69 80.81 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.656 0.741 . . . . 0.0 110.423 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.613 HD23 ' CZ ' ' A' ' 74' ' ' PHE . 26.8 tp -60.94 -39.2 88.56 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.492 -0.755 . . . . 0.0 111.144 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -81.44 -48.76 11.47 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -65.8 -27.45 68.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.093 -1.004 . . . . 0.0 111.636 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.6 m -59.03 -46.18 88.87 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.17 -175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -107.91 -15.26 14.58 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.296 -0.878 . . . . 0.0 111.696 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.413 HD13 HD23 ' A' ' 45' ' ' LEU . 22.6 mt -131.53 49.03 2.36 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.085 -1.009 . . . . 0.0 109.611 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 45.4 t -63.28 -49.98 71.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.609 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -64.24 -40.4 95.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.444 -0.785 . . . . 0.0 111.565 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.604 ' O ' ' O ' ' A' ' 45' ' ' LEU . 37.5 t80 -86.48 -101.28 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.701 -1.25 . . . . 0.0 111.068 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.604 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -8.54 133.89 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.079 0 CA-C-O 114.993 -2.432 . . . . 0.0 109.629 177.797 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.57 ' OD2' ' N ' ' X' ' 8' ' ' ASN . 42.3 m-20 -88.81 118.63 28.65 Favored 'General case' 0 N--CA 1.521 3.099 1 CA-C-N 127.785 4.811 . . . . 0.0 109.237 176.176 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 48' ' ' GLN . 71.5 t -146.9 -83.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.912 -1.117 . . . . 0.0 110.271 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.4 ' N ' HG12 ' A' ' 47' ' ' VAL . 2.6 pt20 -63.31 -41.64 98.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.419 -0.801 . . . . 0.0 112.058 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 20.5 mtmm -60.81 -39.09 87.65 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 120.697 -1.252 . . . . 0.0 108.12 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -123.26 91.37 3.47 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.25 70.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.26 -39.81 88.13 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.07 79.49 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.691 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -37.38 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.491 -1.381 . . . . 0.0 109.005 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.476 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 95.5 m-20 -64.7 -42.16 95.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.148 -0.97 . . . . 0.0 110.791 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.82 -39.64 93.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.986 -1.071 . . . . 0.0 109.581 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.738 HD11 ' OD1' ' X' ' 8' ' ' ASN . 5.7 mm -66.23 -56.55 14.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.692 -0.63 . . . . 0.0 111.618 -178.037 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -62.45 -36.14 81.5 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.038 -1.039 . . . . 0.0 111.586 -178.009 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -60.05 -41.95 93.4 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.16 -23.55 64.02 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 63' ' ' GLU . 32.5 mt -96.65 -25.2 15.66 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 110.476 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 58' ' ' MET . 13.0 t0 -73.01 50.17 0.26 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' LEU . 93.8 mt-10 -60.04 -40.18 88.49 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.912 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -78.39 -20.88 50.24 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.0 39.14 28.53 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 107.009 -2.436 . . . . 0.0 107.009 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 31.1 p-10 -94.27 -12.48 28.03 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.602 -0.94 . . . . 0.0 112.078 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.12 0.44 80.61 Favored Glycine 0 N--CA 1.504 3.221 0 O-C-N 120.788 -1.195 . . . . 0.0 110.928 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 37.7 mp0 -137.89 177.93 7.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.629 -1.512 . . . . 0.0 107.872 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.15 132.21 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.443 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' GLU . 29.6 t0 -95.87 147.78 23.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.409 -0.807 . . . . 0.0 109.128 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 13.5 t80 -46.58 -26.96 0.99 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.52 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 76' ' ' VAL . 94.8 mt-30 -77.59 -29.2 51.9 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.931 -1.106 . . . . 0.0 108.808 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.3 mt-10 -83.44 -45.92 13.1 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 122.24 1.019 . . . . 0.0 109.109 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.613 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 31.9 t80 -60.42 -49.88 75.81 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.641 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.755 HG12 ' HB1' ' B' ' 79' ' ' ALA . 55.9 t -61.2 -39.98 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.776 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 72' ' ' GLN . 45.4 t -56.35 -30.47 30.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.7 -1.25 . . . . 0.0 108.673 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -78.98 -56.06 4.67 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.338 -0.851 . . . . 0.0 112.792 -177.888 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.45 ' H ' HG13 ' A' ' 78' ' ' VAL . 3.9 m -51.46 -34.06 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.433 -1.417 . . . . 0.0 109.177 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.758 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -74.01 -39.83 63.34 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.538 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.8 -24.76 55.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.088 -1.007 . . . . 0.0 113.148 -176.818 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.541 HD22 HD11 ' A' ' 45' ' ' LEU . 2.5 pp -83.56 -40.09 19.56 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 119.762 -1.836 . . . . 0.0 109.906 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.432 ' N ' ' HG ' ' A' ' 81' ' ' LEU . 2.4 t -59.82 -41.51 91.47 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.33 -0.856 . . . . 0.0 110.343 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 6.8 m -58.89 -40.05 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.53 -25.83 64.22 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.49 -39.96 81.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 109.585 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -60.02 -39.85 87.25 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.428 -0.795 . . . . 0.0 109.321 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.97 -39.85 87.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.412 -0.805 . . . . 0.0 110.089 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.53 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 6.6 t80 -89.11 -5.57 57.7 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.16 -0.963 . . . . 0.0 109.508 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -89.85 -3.86 57.88 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 108.937 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.1 t90 . . . . . 0 C--N 1.302 -1.499 0 O-C-N 121.615 -0.678 . . . . 0.0 109.699 -179.163 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.9 -40.64 89.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -0.95 . . . . 0.0 110.639 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.34 -41.89 98.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.541 -1.349 . . . . 0.0 108.747 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.77 -39.25 88.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.84 . . . . 0.0 109.027 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' B' ' 10' ' ' THR . 23.5 m -52.54 -44.47 65.82 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.506 0.67 . . . . 0.0 110.703 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.99 64.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ttt -71.65 -49.2 42.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.295 -1.503 . . . . 0.0 110.666 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.86 -24.23 63.4 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.58 -0.7 . . . . 0.0 110.596 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.714 ' O ' HG12 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -68.93 -58.75 3.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.12 . . . . 0.0 110.038 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 7.2 mp -48.3 -36.48 14.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.376 -1.452 . . . . 0.0 108.919 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -69.38 -39.91 79.4 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 O-C-N 121.47 -0.769 . . . . 0.0 112.53 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -83.52 -43.74 15.42 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.676 -1.89 . . . . 0.0 113.448 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.714 HG12 ' O ' ' B' ' 10' ' ' THR . 2.2 p -62.23 -41.68 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.404 -1.435 . . . . 0.0 108.975 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.677 ' CD1' HG13 ' B' ' 14' ' ' VAL . 7.7 m-30 -63.2 -39.64 95.21 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.086 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -59.89 -40.01 87.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.18 -55.56 14.67 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.236 -0.915 . . . . 0.0 112.598 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -75.66 -41.26 54.46 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.114 -0.991 . . . . 0.0 111.477 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.0 t -62.07 -23.94 66.8 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.325 -0.859 . . . . 0.0 112.437 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.26 2.25 33.03 Favored Glycine 0 N--CA 1.504 3.206 0 O-C-N 120.732 -1.23 . . . . 0.0 110.092 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.656 ' C ' ' H ' ' B' ' 23' ' ' GLY . 35.7 ttmt -124.67 -75.64 0.6 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.455 -1.026 . . . . 0.0 108.949 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.43 15.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.748 -1.22 . . . . 0.0 110.795 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.656 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -166.45 164.2 37.47 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 31.8 t0 -78.01 162.24 26.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.575 -0.956 . . . . 0.0 108.597 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 27.6 tptp -67.87 83.77 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' B' ' 24' ' ' ASP . 60.9 t80 -146.12 -55.28 0.28 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.999 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -178.49 -176.72 0.51 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tp -86.61 105.45 16.88 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.601 ' H ' ' CD ' ' B' ' 32' ' ' GLU . 67.4 m -70.77 156.08 39.97 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.167 -1.583 . . . . 0.0 108.04 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.431 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 66.3 tttt -43.14 -30.35 0.45 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -25.51 28.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.622 -1.298 . . . . 0.0 109.701 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' B' ' 29' ' ' SER . 36.3 mt-10 -69.97 -42.42 73.15 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.654 -1.279 . . . . 0.0 109.851 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.63 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.7 pp -65.17 -41.6 94.49 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.162 0.982 . . . . 0.0 109.879 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.63 ' N ' HD12 ' B' ' 33' ' ' LEU . 79.2 tttt -61.81 -46.83 87.8 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.538 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 t0 -68.68 -38.61 80.49 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.729 0.776 . . . . 0.0 110.401 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.613 HD23 ' CZ ' ' B' ' 74' ' ' PHE . 27.7 tp -61.07 -39.0 88.22 Favored 'General case' 0 C--N 1.286 -2.188 0 O-C-N 121.474 -0.766 . . . . 0.0 111.273 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -81.54 -48.81 11.33 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.967 -1.083 . . . . 0.0 113.674 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.77 -27.26 68.16 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.102 0.954 . . . . 0.0 111.727 -176.28 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 97.0 m -59.13 -46.48 88.24 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.027 -175.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -107.69 -15.29 14.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.307 -0.871 . . . . 0.0 111.714 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 mt -131.1 48.12 2.46 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.084 -1.01 . . . . 0.0 109.789 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 45.2 t -62.92 -50.26 71.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.766 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.5 t -64.18 -40.01 95.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.798 . . . . 0.0 111.531 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.556 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.4 t80 -87.7 -87.77 0.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.598 -1.314 . . . . 0.0 112.12 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.559 HD11 HD22 ' B' ' 81' ' ' LEU . 0.2 OUTLIER -31.06 141.01 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.859 0 CA-C-O 116.85 -1.547 . . . . 0.0 108.326 -174.899 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' Y' ' 7' ' ' TRP . 48.3 m-20 -88.97 116.82 27.54 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 125.055 3.571 . . . . 0.0 108.712 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.402 HG12 ' N ' ' B' ' 48' ' ' GLN . 76.1 t -146.51 -82.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.076 -1.015 . . . . 0.0 110.223 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.402 ' N ' HG12 ' B' ' 47' ' ' VAL . 2.7 pt20 -63.56 -41.68 98.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.547 -0.72 . . . . 0.0 112.027 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -60.56 -39.5 88.2 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.893 -1.129 . . . . 0.0 107.976 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 89.6 m-20 -123.48 91.39 3.47 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.63 70.55 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.23 -39.96 88.53 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.06 80.2 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 118.976 -1.09 . . . . 0.0 109.502 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -37.73 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.634 -1.291 . . . . 0.0 108.952 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.431 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.3 m-20 -64.47 -42.41 95.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 0.0 110.899 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.52 -40.0 94.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.047 -1.033 . . . . 0.0 109.619 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.613 HD11 ' OD1' ' Y' ' 8' ' ' ASN . 5.6 mm -65.99 -56.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.861 -0.524 . . . . 0.0 111.745 -178.161 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -62.67 -36.24 82.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.998 -1.064 . . . . 0.0 111.395 -177.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -59.95 -42.41 94.0 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.33 -21.92 62.62 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 63' ' ' GLU . 34.0 mt -97.84 -25.5 15.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.584 -0.698 . . . . 0.0 110.322 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' B' ' 58' ' ' MET . 13.5 t0 -72.97 50.12 0.26 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' B' ' 61' ' ' LEU . 93.5 mt-10 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.059 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -78.44 -21.04 49.75 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.01 39.24 28.26 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 106.899 -2.48 . . . . 0.0 106.899 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.441 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 33.1 p-10 -94.21 -12.51 28.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.663 -0.904 . . . . 0.0 112.064 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.8 80.94 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.774 -1.204 . . . . 0.0 110.992 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 38.1 mp0 -138.04 178.21 7.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.508 -1.584 . . . . 0.0 107.842 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -121.36 132.11 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 0.0 109.422 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' B' ' 73' ' ' GLU . 29.8 t0 -95.88 147.7 23.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.127 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 13.2 t80 -46.25 -27.23 0.96 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.595 -0.691 . . . . 0.0 109.476 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.52 ' O ' HG23 ' B' ' 76' ' ' VAL . 94.0 mt-30 -77.61 -28.94 51.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.9 -1.125 . . . . 0.0 108.79 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-10 -83.67 -45.96 12.84 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.266 1.032 . . . . 0.0 108.916 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.613 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 31.9 t80 -60.5 -49.81 76.07 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.76 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.758 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.7 t -61.26 -40.01 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.519 -0.738 . . . . 0.0 110.741 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 72' ' ' GLN . 46.6 t -55.88 -30.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 O-C-N 120.661 -1.274 . . . . 0.0 108.76 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.456 ' O ' HD13 ' B' ' 77' ' ' LEU . 0.5 OUTLIER -79.03 -56.23 4.54 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.369 -0.832 . . . . 0.0 112.796 -177.759 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.429 ' H ' HG13 ' B' ' 78' ' ' VAL . 3.5 m -51.18 -33.81 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.412 -1.43 . . . . 0.0 109.197 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.755 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.651 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.417 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -76.51 -24.7 53.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.559 HD22 HD11 ' B' ' 45' ' ' LEU . 2.7 pp -83.15 -39.97 20.34 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 119.719 -1.863 . . . . 0.0 109.827 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.421 ' N ' ' HG ' ' B' ' 81' ' ' LEU . 2.2 t -60.04 -42.16 93.84 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 8.8 m -58.58 -39.82 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.404 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -70.04 -25.5 63.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.52 -39.95 80.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.222 -0.924 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.93 -39.89 87.01 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.303 -0.873 . . . . 0.0 109.261 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.07 -39.87 87.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.863 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 6.1 t80 -89.06 -5.33 57.95 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.066 -1.021 . . . . 0.0 109.648 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -90.0 -3.98 57.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.071 -1.018 . . . . 0.0 108.926 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.4 t90 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.524 -0.735 . . . . 0.0 109.568 -179.276 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 50.7 pt . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 110.645 -0.131 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 6' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 5.6 p-10 37.92 24.76 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.423 -0.798 . . . . 0.0 110.559 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.693 ' O ' HG22 ' X' ' 10' ' ' ILE . 46.3 t90 -60.94 -52.79 63.52 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.874 -1.141 . . . . 0.0 110.493 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.418 ' CB ' ' OD1' ' A' ' 46' ' ' ASP . 1.7 t30 -52.44 -29.51 24.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 119.578 -1.951 . . . . 0.0 108.263 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -54.82 -24.95 25.22 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.693 HG22 ' O ' ' X' ' 7' ' ' TRP . 4.0 tt -53.55 -38.3 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.462 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 38.4 tp -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.146 179.597 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.501 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 122.424 1.107 . . . . 0.0 109.604 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -123.78 28.11 7.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.841 -1.162 . . . . 0.0 107.972 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.711 ' O ' HG22 ' Y' ' 10' ' ' ILE . 7.7 p-90 -58.07 -44.42 87.5 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.817 -1.177 . . . . 0.0 109.032 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.512 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 12.4 t-20 -51.24 -28.64 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 119.857 -1.777 . . . . 0.0 107.952 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -58.09 -26.12 62.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.711 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -49.79 -39.88 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 177.481 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 29.2 tp -70.16 -39.95 75.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.704 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 1.4 p . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.958 0 N-CA-C 119.308 2.483 . . . . 0.0 119.308 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -107.02 -104.41 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.752 -1.44 . . . . 0.0 110.162 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.91 -42.71 94.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.715 -1.241 . . . . 0.0 111.76 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.97 -41.18 74.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.696 -1.252 . . . . 0.0 111.138 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -67.07 -37.08 83.37 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.22 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -59.87 -47.13 86.99 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.08 -27.23 64.45 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.6 ppp? -75.87 -44.62 39.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 119.97 -1.707 . . . . 0.0 109.849 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.44 -36.39 71.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.274 -0.891 . . . . 0.0 110.864 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -61.5 -54.93 36.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.476 -1.39 . . . . 0.0 109.772 -178.616 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 10' ' ' THR . 9.0 mp -47.92 -40.24 21.41 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.269 -1.519 . . . . 0.0 108.276 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.71 -27.93 43.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 O-C-N 120.772 -1.205 . . . . 0.0 109.346 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 10' ' ' THR . 59.5 t-20 -76.26 -56.18 4.88 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.14 -0.975 . . . . 0.0 112.069 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 2.5 p -62.21 -46.11 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.503 -0.748 . . . . 0.0 110.389 -178.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.493 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 19.6 m-85 -59.98 -40.13 88.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.258 -0.901 . . . . 0.0 109.899 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -59.98 -38.65 83.16 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.023 -1.673 . . . . 0.0 109.909 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.48 21.64 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.411 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 87.4 m-70 -82.98 -41.68 18.48 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.678 -1.263 . . . . 0.0 111.637 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -60.43 -33.98 73.31 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.12 10.21 58.25 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 120.784 -1.198 . . . . 0.0 111.028 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -122.95 -70.81 0.75 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.301 -1.117 . . . . 0.0 110.003 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 70.2 mm-40 -78.6 51.17 1.04 Allowed 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.764 -1.21 . . . . 0.0 109.338 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.98 -142.49 7.26 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.63 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 68' ' ' GLU . 96.2 m-20 -83.6 158.33 21.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.757 -0.849 . . . . 0.0 110.927 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -51.97 -59.85 3.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.767 -0.583 . . . . 0.0 111.258 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.29 26.56 9.99 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 121.263 -0.898 . . . . 0.0 111.968 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -140.34 146.35 38.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 108.476 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -94.03 165.05 12.83 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.602 -177.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 73.8 m -131.89 162.24 31.1 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.062 -1.024 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -47.5 -38.56 14.14 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.287 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -79.94 -27.26 39.83 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 119.574 -1.954 . . . . 0.0 110.342 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.9 mt-10 -69.23 -40.04 78.19 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 121.168 -0.958 . . . . 0.0 110.374 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 28' ' ' LEU . 3.2 pp -66.9 -40.95 87.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.934 -1.104 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 119.849 -0.741 . . . . 0.0 112.223 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 36' ' ' LEU . 1.9 p30 -81.18 -34.02 32.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.567 -1.333 . . . . 0.0 111.147 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 HG22 ' A' ' 14' ' ' VAL . 26.3 tp -61.75 -51.46 68.23 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.911 -1.118 . . . . 0.0 109.319 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.01 -41.63 74.07 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.954 0.883 . . . . 0.0 111.267 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -69.61 -39.99 76.88 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.768 0.794 . . . . 0.0 111.737 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.5 m -60.12 -49.66 76.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.556 -0.715 . . . . 0.0 111.564 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -99.94 -17.04 17.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.145 -0.972 . . . . 0.0 111.771 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -135.81 57.51 1.78 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.843 -1.161 . . . . 0.0 110.332 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.5 p -70.0 -42.11 73.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.254 -0.904 . . . . 0.0 110.107 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.8 t -72.33 -43.89 63.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.384 -0.822 . . . . 0.0 111.984 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.582 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -81.8 -105.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.513 -1.367 . . . . 0.0 111.127 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.779 HD11 HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -9.13 129.51 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 0 CA-C-O 115.036 -2.411 . . . . 0.0 109.257 178.009 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.579 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.5 p-10 -91.44 110.09 21.39 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-N 127.807 4.821 . . . . 0.0 110.313 177.423 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.501 HG23 ' N ' ' A' ' 48' ' ' GLN . 11.5 m -144.79 -41.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.22 -1.55 . . . . 0.0 110.754 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.501 ' N ' HG23 ' A' ' 47' ' ' VAL . 3.2 tm0? -96.77 -44.13 7.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.02 -1.05 . . . . 0.0 111.581 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -66.41 -19.14 65.72 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.919 -1.113 . . . . 0.0 108.122 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.28 88.11 2.19 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.87 78.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.422 -0.799 . . . . 0.0 109.027 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.82 -39.89 86.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.69 -40.07 78.64 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.458 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -38.27 82.16 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 O-C-N 120.803 -1.185 . . . . 0.0 108.853 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.825 -1.172 . . . . 0.0 109.383 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -64.43 -40.12 95.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.322 -0.861 . . . . 0.0 109.478 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.7 mt -67.71 -56.11 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.693 -0.63 . . . . 0.0 111.644 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -39.46 86.73 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.906 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.54 91.08 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.56 -28.51 69.69 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.3 mt -86.74 -29.73 22.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.498 -0.752 . . . . 0.0 110.528 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 12.5 t0 -70.69 50.33 0.13 Allowed 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 61' ' ' LEU . 99.8 mt-10 -59.75 -39.92 86.38 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.6 -19.28 62.86 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.16 32.4 23.23 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 11.3 m-20 -93.06 -123.73 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.8 22.14 0.27 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 107.017 -2.433 . . . . 0.0 107.017 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' OE2' ' OD2' ' A' ' 24' ' ' ASP . 40.0 mt-10 -133.27 175.08 9.72 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.9 t -128.39 130.01 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.879 -1.138 . . . . 0.0 108.048 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.4 168.65 10.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.12 -0.987 . . . . 0.0 108.789 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -32.09 69.68 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -74.54 -29.24 61.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.443 -1.411 . . . . 0.0 109.933 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 92.4 mt-10 -83.35 -36.85 24.06 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 122.133 0.968 . . . . 0.0 109.385 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.05 -44.24 48.79 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.98 0.895 . . . . 0.0 110.956 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.805 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -60.03 -40.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.984 -177.577 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 73' ' ' GLU . 10.9 m -61.84 -30.75 49.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.354 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -69.98 -58.22 4.1 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.309 -0.869 . . . . 0.0 111.734 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.511 ' O ' HG22 ' A' ' 82' ' ' THR . 20.8 m -58.7 -31.12 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.192 -0.942 . . . . 0.0 110.07 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.845 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -71.87 -40.13 69.17 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-O 121.82 0.819 . . . . 0.0 111.013 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.95 -26.64 48.93 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -176.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 45' ' ' LEU . 3.0 pp -85.19 -39.59 17.65 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 119.908 -1.745 . . . . 0.0 110.433 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 83' ' ' VAL . 1.7 t -54.02 -49.93 67.79 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.057 -1.027 . . . . 0.0 109.435 178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.584 ' O ' ' ND2' ' A' ' 86' ' ' ASN . 10.4 m -55.68 -40.24 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 CA-C-O 121.891 0.853 . . . . 0.0 108.825 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -65.29 -22.64 66.87 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.653 -0.654 . . . . 0.0 109.821 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.9 t -69.84 -40.01 76.08 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.187 -0.945 . . . . 0.0 110.629 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.584 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 13.8 p30 -66.4 -40.2 89.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.75 -1.219 . . . . 0.0 109.413 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 26.3 t-20 -65.62 -37.76 87.5 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.475 -0.766 . . . . 0.0 110.734 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -88.61 -6.84 57.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 110.458 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -94.99 -19.87 19.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.06 -1.025 . . . . 0.0 109.831 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 81.5 t90 . . . . . 0 N--CA 1.498 1.936 0 O-C-N 121.211 -0.93 . . . . 0.0 110.596 -179.348 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.501 2.089 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.9 -43.0 95.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.646 -1.284 . . . . 0.0 111.583 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.74 -41.23 75.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.795 -1.191 . . . . 0.0 111.425 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.05 -36.66 82.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.611 -1.306 . . . . 0.0 109.357 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 97.3 m -59.91 -47.53 85.41 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.417 -0.802 . . . . 0.0 110.312 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -27.35 64.66 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.5 ppp? -75.36 -45.03 41.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.985 -1.697 . . . . 0.0 109.827 -178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -71.43 -36.51 71.32 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 111.051 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.492 ' O ' ' N ' ' B' ' 13' ' ' ASN . 0.6 OUTLIER -61.06 -55.13 36.28 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.578 -1.326 . . . . 0.0 109.855 -178.724 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.442 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.9 mp -47.96 -40.14 21.4 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.246 -1.534 . . . . 0.0 108.228 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.77 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.78 -1.2 . . . . 0.0 109.391 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 10' ' ' THR . 60.5 t-20 -76.31 -55.98 5.06 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.028 -1.045 . . . . 0.0 112.0 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 2.8 p -62.3 -46.23 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 O-C-N 121.414 -0.804 . . . . 0.0 110.356 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.483 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 19.9 m-85 -59.88 -40.0 87.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.853 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -60.34 -38.44 83.8 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.956 -1.715 . . . . 0.0 109.745 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.09 -56.47 21.75 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.407 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 87.2 m-70 -82.92 -41.7 18.57 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.625 -1.297 . . . . 0.0 111.769 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -60.52 -33.69 73.0 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 10.08 57.77 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.713 -1.242 . . . . 0.0 110.965 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -122.85 -71.09 0.74 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.289 -1.124 . . . . 0.0 109.981 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 32' ' ' GLU . 70.4 mm-40 -78.11 51.04 0.95 Allowed 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.782 -1.199 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.76 -142.35 7.21 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.302 -1.428 . . . . 0.0 111.746 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.35 158.05 22.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.751 -0.852 . . . . 0.0 110.929 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -52.16 -59.9 3.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.678 -0.639 . . . . 0.0 111.018 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -114.9 25.92 10.56 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.244 -0.91 . . . . 0.0 112.019 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -140.16 146.3 38.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.685 -1.259 . . . . 0.0 108.515 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.415 HD21 ' N ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -93.86 165.08 12.85 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.8 -177.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 73.1 m -131.84 162.17 31.2 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.982 -1.074 . . . . 0.0 111.125 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -47.68 -38.27 14.68 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.31 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -80.09 -27.39 39.28 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.639 -1.913 . . . . 0.0 110.34 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 29' ' ' SER . 51.6 mt-10 -69.12 -40.3 78.39 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.093 -1.004 . . . . 0.0 110.199 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.415 ' N ' HD21 ' B' ' 28' ' ' LEU . 3.2 pp -66.71 -41.13 88.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -59.97 -40.09 87.86 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.151 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 1.8 p30 -80.75 -34.04 34.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.654 -1.278 . . . . 0.0 111.377 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.478 HD11 HG22 ' B' ' 14' ' ' VAL . 30.9 tp -61.62 -51.47 68.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.696 -1.252 . . . . 0.0 109.219 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.15 -41.69 73.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.899 0.857 . . . . 0.0 111.223 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -69.53 -40.15 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.787 0.803 . . . . 0.0 111.829 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.6 m -59.87 -49.82 76.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.477 -0.765 . . . . 0.0 111.586 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.81 -17.03 17.86 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.056 -1.028 . . . . 0.0 111.732 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 88.6 mt -135.5 57.61 1.79 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.779 -1.201 . . . . 0.0 110.347 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 99.8 p -69.95 -42.38 73.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 0.0 110.177 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 38.7 t -72.31 -43.19 64.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.823 . . . . 0.0 112.069 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.542 ' O ' ' C ' ' B' ' 45' ' ' LEU . 36.6 t80 -82.82 -92.78 0.07 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.479 -1.388 . . . . 0.0 112.312 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.821 HD11 HD22 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -31.47 136.48 0.05 Allowed 'General case' 0 N--CA 1.515 2.824 0 CA-C-O 116.889 -1.529 . . . . 0.0 107.988 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.539 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 52.6 p-10 -91.28 109.33 20.6 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 124.957 3.526 . . . . 0.0 109.936 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.49 HG23 ' N ' ' B' ' 48' ' ' GLN . 13.3 m -144.92 -40.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.434 -1.416 . . . . 0.0 110.333 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.49 ' N ' HG23 ' B' ' 47' ' ' VAL . 3.1 tm0? -97.14 -44.21 7.05 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.15 -0.969 . . . . 0.0 111.65 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.44 ' NZ ' HD13 ' Y' ' 5' ' ' ILE . 52.8 mtmt -66.36 -19.39 65.79 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -140.09 88.14 2.2 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.87 77.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.07 -39.84 87.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.53 -41.07 80.16 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 118.871 -1.131 . . . . 0.0 109.236 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -38.39 82.41 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.499 0 O-C-N 120.865 -1.147 . . . . 0.0 109.083 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.87 -40.24 87.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.318 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -64.51 -39.95 94.72 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.97 -55.88 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.686 -0.634 . . . . 0.0 111.664 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -39.66 86.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.2 -0.938 . . . . 0.0 109.869 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -40.48 91.47 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.452 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 79.0 tt0 -65.7 -26.11 67.62 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.0 mt -88.34 -29.78 20.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.457 -0.777 . . . . 0.0 110.286 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 12.8 t0 -71.0 50.82 0.14 Allowed 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.9 mt-10 -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.29 -19.58 63.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.07 32.64 22.89 Favored Glycine 0 N--CA 1.482 1.732 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 11.8 m-20 -93.11 -123.77 0.09 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.47 22.11 0.28 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 106.984 -2.446 . . . . 0.0 106.984 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.22 175.52 9.32 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -96.35 168.59 10.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.189 -0.945 . . . . 0.0 108.666 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -31.74 69.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -74.68 -29.13 61.12 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.349 -1.47 . . . . 0.0 109.901 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 76' ' ' VAL . 93.1 mt-10 -83.55 -36.08 24.27 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 122.206 1.003 . . . . 0.0 109.441 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.86 -44.48 40.51 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 110.855 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.845 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.8 p -59.87 -40.1 81.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.486 -0.759 . . . . 0.0 109.931 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.452 ' N ' HG13 ' B' ' 75' ' ' VAL . 11.5 m -61.71 -30.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.476 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.09 -58.06 4.24 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.322 -0.861 . . . . 0.0 111.781 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.524 ' O ' HG22 ' B' ' 82' ' ' THR . 18.3 m -58.71 -31.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.25 -0.906 . . . . 0.0 110.049 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.805 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -71.71 -40.06 69.73 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.7 0.762 . . . . 0.0 111.003 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.81 -26.77 49.79 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -176.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.821 HD22 HD11 ' B' ' 45' ' ' LEU . 2.9 pp -85.11 -40.08 17.18 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 119.874 -1.766 . . . . 0.0 110.194 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.524 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.8 t -53.82 -49.75 67.69 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.78 -1.2 . . . . 0.0 109.449 178.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.598 ' O ' ' ND2' ' B' ' 86' ' ' ASN . 13.8 m -55.83 -40.31 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.286 -0.884 . . . . 0.0 109.006 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.431 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -65.82 -22.2 66.54 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 0.0 109.637 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 t -69.92 -39.88 75.9 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.536 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.598 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 14.4 p30 -66.27 -40.05 89.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.7 -1.25 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 26.4 t-20 -65.98 -37.25 85.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -88.68 -6.96 57.12 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.293 -0.88 . . . . 0.0 110.514 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -94.83 -19.9 19.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.045 . . . . 0.0 109.769 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 81.8 t90 . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.154 -0.966 . . . . 0.0 110.635 -179.325 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.473 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.1 pt . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -116.57 14.15 15.43 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.247 -0.908 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.683 ' O ' HG22 ' X' ' 10' ' ' ILE . 41.9 t90 -60.12 -51.08 71.12 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.971 -1.081 . . . . 0.0 110.842 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.796 ' ND2' HD22 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -52.07 -32.41 34.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 119.763 -1.835 . . . . 0.0 108.111 -179.619 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' X' ' 12' ' ' SER . 23.8 ttpp -61.66 -24.48 66.77 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.683 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -48.78 -38.07 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.419 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.0 tp -68.54 -39.96 80.9 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.528 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.3 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.211 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.504 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.112 0 CA-C-O 122.214 1.007 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -105.77 17.2 24.09 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.704 -1.247 . . . . 0.0 108.782 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.705 ' O ' HG22 ' Y' ' 10' ' ' ILE . 49.9 t90 -60.07 -49.97 75.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.548 -0.72 . . . . 0.0 110.734 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.654 ' CG ' HD11 ' B' ' 57' ' ' ILE . 11.9 t-20 -52.23 -37.17 54.41 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 119.918 -1.739 . . . . 0.0 108.987 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' Y' ' 12' ' ' SER . 28.1 ttmt -56.36 -24.7 45.93 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.705 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.33 -31.99 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' B' ' 80' ' ' ALA . 0.8 OUTLIER -63.7 -40.9 97.93 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.715 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . 0.43 ' O ' ' O ' ' Y' ' 9' ' ' LYS . 54.5 p . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.36 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.49 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.79 0 N-CA-C 119.545 2.578 . . . . 0.0 119.545 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -75.24 165.4 25.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.104 -1.233 . . . . 0.0 108.963 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 39.9 mp0 -59.99 -43.04 95.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.153 -0.967 . . . . 0.0 111.177 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.94 -39.97 93.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.356 -1.465 . . . . 0.0 110.124 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 98.7 mt-10 -64.27 -33.13 75.1 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.864 -1.148 . . . . 0.0 109.438 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.91 -45.4 92.69 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.842 0.829 . . . . 0.0 109.858 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.67 -32.05 70.46 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -71.74 -49.72 36.62 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.98 -36.02 74.87 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.693 -0.63 . . . . 0.0 111.481 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.83 -54.7 34.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.787 -1.195 . . . . 0.0 110.086 -178.652 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.7 mp -47.83 -39.79 19.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.468 -1.395 . . . . 0.0 108.506 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.8 -40.08 86.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.443 -0.786 . . . . 0.0 112.041 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.06 -49.09 12.27 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.886 -1.758 . . . . 0.0 112.731 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -61.33 -37.48 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.548 -1.345 . . . . 0.0 108.823 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 4.8 m-30 -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.12 -32.99 74.76 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.222 -0.924 . . . . 0.0 110.762 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.98 62.33 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.013 -1.055 . . . . 0.0 112.159 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -80.26 -43.35 21.51 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.065 -1.022 . . . . 0.0 111.652 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -60.03 -24.6 64.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.89 5.41 61.71 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 120.493 -1.379 . . . . 0.0 112.326 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -122.74 -61.97 1.4 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 119.335 1.567 . . . . 0.0 110.168 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.94 41.07 1.03 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.862 -1.149 . . . . 0.0 110.49 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.69 -152.99 9.3 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.387 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.02 161.88 18.74 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -54.79 -50.03 69.5 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.21 -0.931 . . . . 0.0 111.657 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 84.6 t80 -116.86 23.74 11.72 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.647 -1.283 . . . . 0.0 112.605 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -137.11 144.39 43.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.356 -1.465 . . . . 0.0 109.223 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -92.09 163.14 14.07 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.579 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.9 p -132.12 164.38 26.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.123 -0.986 . . . . 0.0 110.48 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -48.69 -39.96 26.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.353 -0.842 . . . . 0.0 111.573 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CB ' ' NZ ' ' A' ' 31' ' ' LYS . 1.7 ttpm? -78.56 -29.64 46.39 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.737 -1.852 . . . . 0.0 110.056 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HB2' ' H ' ' A' ' 29' ' ' SER . 59.1 mt-10 -69.96 -40.03 75.65 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 111.298 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.65 -41.7 99.19 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.321 -1.487 . . . . 0.0 109.177 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -64.06 -39.96 95.22 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.14 -0.975 . . . . 0.0 112.741 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.39 -43.77 48.32 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.808 -1.182 . . . . 0.0 112.449 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.13 -48.28 80.8 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.345 -0.847 . . . . 0.0 110.689 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.83 HD12 HD22 ' A' ' 45' ' ' LEU . 3.7 mm? -70.63 -48.73 53.58 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 39' ' ' THR . 11.5 pt20 -63.93 -39.99 95.43 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.878 0.846 . . . . 0.0 112.749 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 95.8 m -56.74 -44.17 81.43 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.34 -176.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -99.49 -15.13 18.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.29 -0.881 . . . . 0.0 111.004 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 mt -135.41 43.37 2.64 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.059 -1.026 . . . . 0.0 108.866 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.489 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -60.2 -52.06 66.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.349 -0.845 . . . . 0.0 110.683 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -68.74 -37.22 79.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.389 -0.819 . . . . 0.0 111.474 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 45' ' ' LEU . 39.8 t80 -82.81 -108.81 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.678 -1.264 . . . . 0.0 111.652 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.83 HD22 HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -9.96 132.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.958 0 CA-C-O 115.293 -2.289 . . . . 0.0 110.087 177.8 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.473 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 57.2 t0 -91.23 111.73 23.33 Favored 'General case' 0 N--CA 1.522 3.125 1 CA-C-N 127.404 4.638 . . . . 0.0 109.641 176.168 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 48' ' ' GLN . 22.5 m -141.18 -43.43 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.697 -1.252 . . . . 0.0 110.114 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.52 ' N ' HG23 ' A' ' 47' ' ' VAL . 6.8 mm100 -90.78 -54.41 3.99 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.02 -1.05 . . . . 0.0 111.925 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.513 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -50.0 -60.03 3.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.816 -1.177 . . . . 0.0 108.201 -178.662 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -97.53 93.95 6.73 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.23 82.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 108.459 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -57.97 -35.33 71.02 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.08 94.84 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.499 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -32.48 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 108.562 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 56.8 t0 -67.19 -40.06 86.46 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.024 -1.048 . . . . 0.0 110.197 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.77 -39.97 79.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.235 -0.916 . . . . 0.0 109.943 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.6 mt -69.12 -57.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.672 0.749 . . . . 0.0 111.159 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER -61.86 -38.25 87.53 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.573 0.701 . . . . 0.0 110.416 -178.756 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -60.12 -46.62 89.03 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.41 -27.26 67.7 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 73' ' ' GLU . 13.3 tp -79.41 -39.96 31.14 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.892 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 88.5 m-20 -69.04 58.63 0.1 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -59.98 -40.05 87.8 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.888 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -73.53 -20.07 60.74 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.96 51.95 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -94.34 -4.9 47.74 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.364 -1.08 . . . . 0.0 112.09 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.63 8.16 75.95 Favored Glycine 0 N--CA 1.502 3.067 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -134.17 175.29 9.62 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 t -128.52 129.89 68.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.616 -1.302 . . . . 0.0 108.504 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.3 t0 -92.61 163.94 13.6 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 53.4 t80 -58.65 -33.81 70.5 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.495 -0.753 . . . . 0.0 108.975 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 tm0? -70.4 -31.26 68.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.978 -1.076 . . . . 0.0 109.382 178.365 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.725 ' O ' HD11 ' A' ' 61' ' ' LEU . 42.4 mt-10 -78.74 -49.35 13.21 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.978 0.895 . . . . 0.0 109.777 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.4 84.49 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.361 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.651 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.2 t -59.27 -35.5 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.3 -1.5 . . . . 0.0 109.363 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.3 t -59.95 -34.97 58.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.407 HD12 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -60.04 -58.26 9.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.619 -0.676 . . . . 0.0 112.203 -178.455 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 82' ' ' THR . 12.4 m -59.9 -39.81 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 O-C-N 121.397 -0.815 . . . . 0.0 111.091 -178.194 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -62.52 -39.93 95.14 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.159 -0.963 . . . . 0.0 110.201 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -76.51 -24.71 53.72 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.796 HD22 ' ND2' ' X' ' 8' ' ' ASN . 95.5 mt -86.33 -40.08 15.82 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 119.674 -1.891 . . . . 0.0 110.442 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.512 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 5.0 t -59.16 -40.49 85.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.712 -1.242 . . . . 0.0 109.256 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 18.7 m -60.0 -40.02 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.908 -1.12 . . . . 0.0 109.239 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.546 ' HB3' ' CZ2' ' X' ' 7' ' ' TRP . . . -60.02 -25.53 65.37 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.3 p -76.85 -40.14 48.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.123 -0.986 . . . . 0.0 109.812 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.478 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 53.7 t-20 -60.46 -40.13 90.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.0 109.205 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.89 -40.04 95.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.014 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 71.0 t80 -84.19 -1.62 55.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.545 -0.722 . . . . 0.0 109.263 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 64.5 t80 -83.19 -10.07 58.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.461 -0.775 . . . . 0.0 109.852 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.058 -1.026 . . . . 0.0 109.476 -179.41 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 39.8 mp0 -59.99 -42.87 95.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 111.296 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.1 -40.02 94.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.417 -1.427 . . . . 0.0 110.088 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.04 -33.24 75.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.926 -1.109 . . . . 0.0 109.536 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.7 m -60.0 -45.13 93.75 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.873 0.844 . . . . 0.0 109.973 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -31.87 69.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -71.69 -49.72 36.96 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.604 -1.31 . . . . 0.0 110.657 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.99 -36.4 75.14 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 121.747 -0.595 . . . . 0.0 111.493 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.5 -54.83 34.11 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 110.097 -178.723 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.7 mp -47.91 -39.5 19.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.431 -1.418 . . . . 0.0 108.609 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -65.99 -40.0 86.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.515 -0.741 . . . . 0.0 112.056 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -80.11 -49.04 12.28 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 119.931 -1.731 . . . . 0.0 112.802 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.39 -37.56 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.557 -1.339 . . . . 0.0 108.792 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.64 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 4.9 m-30 -59.91 -39.82 86.72 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.19 -32.84 74.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.176 -0.952 . . . . 0.0 110.675 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.12 -53.07 61.45 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.964 -1.085 . . . . 0.0 112.153 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -80.15 -43.51 21.51 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.079 -1.013 . . . . 0.0 111.717 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 p -59.94 -24.61 64.51 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.86 5.2 61.64 Favored Glycine 0 N--CA 1.5 2.922 0 O-C-N 120.547 -1.345 . . . . 0.0 112.27 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -122.75 -61.72 1.42 Allowed 'General case' 0 N--CA 1.505 2.302 0 CA-C-N 119.385 1.592 . . . . 0.0 110.2 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -90.06 40.73 1.02 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.83 -1.168 . . . . 0.0 110.461 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.42 -152.74 9.05 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.408 -1.377 . . . . 0.0 110.463 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -85.97 161.86 18.8 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.86 -49.99 69.76 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.225 -0.922 . . . . 0.0 111.688 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' B' ' 26' ' ' TYR . 84.2 t80 -116.67 23.35 12.06 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.618 -1.301 . . . . 0.0 112.708 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -137.07 144.21 43.03 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.286 -1.509 . . . . 0.0 109.237 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tp -91.82 163.17 14.15 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.573 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 91.1 p -132.06 164.49 26.12 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.102 -0.999 . . . . 0.0 110.524 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.422 ' HG3' ' HZ2' ' B' ' 30' ' ' LYS . 23.0 tptp -48.86 -39.97 27.78 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.326 -0.859 . . . . 0.0 111.446 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.426 ' NZ ' ' CB ' ' B' ' 31' ' ' LYS . 1.8 ttpm? -78.54 -29.55 46.48 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 119.742 -1.849 . . . . 0.0 110.105 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.573 ' HB2' ' H ' ' B' ' 29' ' ' SER . 59.1 mt-10 -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.072 -1.017 . . . . 0.0 111.222 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.71 -41.66 99.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.343 -1.473 . . . . 0.0 109.126 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.98 -40.06 95.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.159 -0.963 . . . . 0.0 112.745 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -75.43 -43.7 48.37 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.768 -1.207 . . . . 0.0 112.442 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.23 -48.19 81.08 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.313 -0.867 . . . . 0.0 110.651 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.794 HD12 HD22 ' B' ' 45' ' ' LEU . 3.7 mm? -70.83 -48.7 52.6 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.698 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' B' ' 39' ' ' THR . 11.5 pt20 -63.67 -40.05 95.87 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.919 0.866 . . . . 0.0 112.775 -176.407 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.2 m -56.81 -44.54 82.09 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.328 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -99.13 -15.22 19.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -135.32 43.31 2.66 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.034 -1.041 . . . . 0.0 108.837 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.479 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -60.21 -52.08 66.82 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.627 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 26.3 t -69.04 -36.45 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 0.0 111.445 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.6 t80 -83.84 -94.57 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.734 -1.229 . . . . 0.0 113.141 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.794 HD22 HD12 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -34.22 140.12 0.07 Allowed 'General case' 0 N--CA 1.508 2.453 0 CA-C-O 117.139 -1.41 . . . . 0.0 108.804 -174.567 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.9 t0 -91.26 110.99 22.29 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 124.658 3.39 . . . . 0.0 109.122 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.517 HG23 ' N ' ' B' ' 48' ' ' GLN . 22.8 m -141.29 -42.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.989 -1.069 . . . . 0.0 109.807 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.517 ' N ' HG23 ' B' ' 47' ' ' VAL . 6.9 mm100 -91.09 -54.62 3.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.163 -0.961 . . . . 0.0 111.968 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.492 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -49.93 -60.02 3.32 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.77 -1.206 . . . . 0.0 108.318 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.51 93.88 6.7 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.24 81.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 0.0 108.412 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -57.8 -35.76 71.27 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.94 95.22 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.279 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -32.7 53.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.957 -1.089 . . . . 0.0 108.723 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 56.7 t0 -67.02 -40.0 87.15 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.015 -1.053 . . . . 0.0 110.164 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.66 -39.88 80.46 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.96 0.886 . . . . 0.0 110.017 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.654 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 96.6 mt -69.35 -56.95 9.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 CA-C-O 121.677 0.751 . . . . 0.0 111.23 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.7 OUTLIER -61.84 -38.39 88.01 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.566 0.698 . . . . 0.0 110.431 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -59.92 -46.77 88.31 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -67.34 -24.64 65.74 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.73 HD11 ' O ' ' B' ' 73' ' ' GLU . 13.5 tp -81.62 -39.79 23.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.635 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 58' ' ' MET . 88.3 m-20 -69.11 58.6 0.1 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -60.0 -40.07 87.95 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.851 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -73.6 -20.06 60.71 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.91 52.06 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -94.3 -4.97 47.74 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.319 -1.107 . . . . 0.0 112.005 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.6 8.36 76.27 Favored Glycine 0 N--CA 1.501 2.984 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.28 175.3 9.63 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.29 129.92 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.576 -1.328 . . . . 0.0 108.499 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.3 t0 -92.57 163.92 13.62 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 53.3 t80 -58.65 -33.84 70.54 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.524 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.4 tm0? -70.26 -31.4 68.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.956 -1.09 . . . . 0.0 109.38 178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.73 ' O ' HD11 ' B' ' 61' ' ' LEU . 42.7 mt-10 -78.73 -49.35 13.23 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 122.025 0.916 . . . . 0.0 109.798 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.64 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.53 83.9 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.346 -178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.666 HG12 ' HB1' ' A' ' 79' ' ' ALA . 51.0 t -59.32 -35.15 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.327 -1.483 . . . . 0.0 109.404 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.2 t -59.96 -35.07 58.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 119.057 -1.057 . . . . 0.0 108.171 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -58.32 9.05 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 121.473 0.654 . . . . 0.0 112.144 -178.251 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.436 ' O ' HG22 ' B' ' 82' ' ' THR . 12.5 m -59.99 -39.8 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.495 -0.753 . . . . 0.0 111.055 -178.174 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.651 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -62.43 -39.98 95.09 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.104 -0.998 . . . . 0.0 110.239 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' Y' ' 11' ' ' LEU . . . -76.4 -24.51 54.07 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.464 ' CD1' HD21 ' Y' ' 8' ' ' ASN . 94.2 mt -86.55 -39.98 15.67 Favored 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.58 -1.95 . . . . 0.0 110.509 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 4.9 t -59.13 -40.65 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.779 -1.201 . . . . 0.0 109.201 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 18.7 m -59.97 -39.96 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.979 -1.076 . . . . 0.0 109.244 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.547 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -60.08 -25.64 65.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.4 p -76.75 -40.09 49.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.16 -0.963 . . . . 0.0 109.971 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.484 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 54.3 t-20 -60.44 -40.2 90.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.73 -39.96 95.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.32 -0.862 . . . . 0.0 109.004 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 71.0 t80 -84.2 -1.52 55.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.549 -0.719 . . . . 0.0 109.326 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 64.8 t80 -83.35 -10.02 58.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.379 -0.826 . . . . 0.0 109.793 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 109.388 -179.46 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.442 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 1.3 pt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -121.85 32.03 6.01 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.666 ' O ' HG22 ' X' ' 10' ' ' ILE . 55.0 t90 -59.95 -49.98 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.63 -0.669 . . . . 0.0 111.732 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.768 ' OD1' HD11 ' A' ' 57' ' ' ILE . 34.2 t-20 -54.9 -33.49 62.12 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.304 -1.497 . . . . 0.0 109.035 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 9' ' ' LYS . . . . . 0.407 ' O ' ' OXT' ' X' ' 12' ' ' SER . 82.1 tttt -59.89 -27.08 66.41 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.666 HG22 ' O ' ' X' ' 7' ' ' TRP . 3.0 tt -54.44 -34.45 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.478 ' O ' HD13 ' X' ' 11' ' ' LEU . 0.3 OUTLIER -60.03 -49.94 75.68 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' X' X ' 12' ' ' SER . . . . . 0.407 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 53.6 p . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.9 -1.047 . . . . 0.0 109.702 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.468 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 2.5 pt . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 95.7 m-20 -114.62 27.31 9.54 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.063 -1.023 . . . . 0.0 110.351 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.651 ' O ' HG22 ' Y' ' 10' ' ' ILE . 41.7 t90 -60.31 -55.13 37.38 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.015 -1.053 . . . . 0.0 112.868 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.788 ' OD1' HD11 ' B' ' 57' ' ' ILE . 35.1 t-20 -52.13 -35.74 49.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 119.866 -1.771 . . . . 0.0 109.198 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -59.9 -24.72 64.52 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.651 HG22 ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -53.32 -38.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.1 tp -68.9 -40.07 79.36 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.505 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.488 -179.546 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.636 2.614 . . . . 0.0 119.636 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -103.16 34.6 2.84 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.417 -1.049 . . . . 0.0 109.536 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.23 -40.09 94.97 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.338 -0.851 . . . . 0.0 111.775 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -43.32 99.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.142 -1.599 . . . . 0.0 109.606 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.97 -34.18 76.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.026 -1.047 . . . . 0.0 109.615 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.8 -45.72 91.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.37 -0.831 . . . . 0.0 110.104 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.33 66.13 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.764 -0.585 . . . . 0.0 111.837 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 ttt -71.55 -48.83 46.08 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.468 -1.395 . . . . 0.0 110.28 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.07 -33.39 71.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.552 -0.718 . . . . 0.0 111.266 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.22 -55.79 14.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 118.477 -1.289 . . . . 0.0 109.926 -178.721 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -45.56 -38.13 6.14 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.447 -1.408 . . . . 0.0 108.597 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.71 -39.97 83.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.372 -0.83 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.32 -43.01 64.78 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.467 -1.396 . . . . 0.0 112.797 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.511 HG13 ' HD1' ' A' ' 15' ' ' PHE . 11.0 p -71.01 -39.82 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.647 -1.283 . . . . 0.0 109.95 -178.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.643 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.3 m-30 -60.13 -40.52 90.08 Favored 'General case' 0 C--N 1.291 -1.943 0 O-C-N 121.826 -0.546 . . . . 0.0 110.155 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.479 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 2.8 p-80 -73.28 -24.23 60.4 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.152 -1.593 . . . . 0.0 110.433 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.57 -53.7 54.99 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.983 -1.073 . . . . 0.0 110.925 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.491 ' ND1' HD21 ' A' ' 36' ' ' LEU . 32.0 m80 -83.31 -41.27 18.46 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.234 -0.916 . . . . 0.0 111.077 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ASP . 9.7 t -56.83 -28.4 61.53 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.252 -0.905 . . . . 0.0 112.792 -178.303 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.4 9.56 71.75 Favored Glycine 0 N--CA 1.497 2.764 0 O-C-N 120.513 -1.367 . . . . 0.0 111.138 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -124.24 -62.94 1.24 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 118.873 1.337 . . . . 0.0 109.84 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 34.1 mp0 -88.82 18.52 4.71 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.788 -1.195 . . . . 0.0 110.621 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.563 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -152.02 -155.31 6.97 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 19' ' ' SER . 92.9 m-20 -86.78 168.56 13.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -1.187 . . . . 0.0 108.455 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -57.59 -49.33 76.75 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.349 -0.845 . . . . 0.0 112.012 -177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -118.55 24.75 10.72 Favored 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.514 -1.367 . . . . 0.0 111.499 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -140.01 146.91 39.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.857 -1.152 . . . . 0.0 108.698 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -94.24 164.27 13.11 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.124 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.51 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.9 m -129.46 158.69 38.5 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.401 -0.812 . . . . 0.0 109.801 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -48.01 -40.1 21.69 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -75.12 -23.71 57.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 119.579 -1.95 . . . . 0.0 109.809 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.563 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 81.5 mt-10 -76.3 -42.74 44.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 111.527 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.5 pp -59.86 -47.11 87.08 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 118.408 -1.317 . . . . 0.0 109.2 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.554 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.0 tttt -61.12 -40.04 92.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.755 -0.591 . . . . 0.0 111.505 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -66.33 -42.56 88.02 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.919 -1.113 . . . . 0.0 113.966 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.491 HD21 ' ND1' ' A' ' 18' ' ' HIS . 61.2 mt -70.02 -40.04 75.44 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 119.381 -2.074 . . . . 0.0 110.597 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -64.52 -51.83 60.89 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.453 0.644 . . . . 0.0 112.496 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.597 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 5.1 pp0? -66.02 -37.27 85.45 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.854 0.835 . . . . 0.0 111.887 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.597 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 93.0 m -54.85 -45.88 74.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.856 -0.527 . . . . 0.0 111.232 -175.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -100.53 -12.53 19.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.135 -0.978 . . . . 0.0 111.617 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.93 47.49 2.35 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.988 -1.07 . . . . 0.0 109.421 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 57.8 m -60.16 -48.55 81.27 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 110.529 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.8 p -69.96 -39.74 75.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.356 -0.84 . . . . 0.0 111.786 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -84.61 -106.77 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.838 -1.164 . . . . 0.0 111.952 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -8.88 125.9 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.066 0 CA-C-O 114.79 -2.528 . . . . 0.0 109.322 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 49.1 t0 -90.44 109.23 20.36 Favored 'General case' 0 N--CA 1.521 3.113 1 CA-C-N 128.068 4.94 . . . . 0.0 110.183 178.109 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -143.45 -46.39 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 120.764 -1.21 . . . . 0.0 110.391 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.452 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 29.8 mt-30 -77.5 -47.23 20.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.821 -1.174 . . . . 0.0 111.494 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 1.1 mmtt -57.54 -57.54 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.71 89.56 4.98 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.08 65.38 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.03 -37.9 81.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 118.871 -1.132 . . . . 0.0 109.684 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -35.23 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.555 -1.34 . . . . 0.0 108.331 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.55 -40.02 94.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.97 -1.081 . . . . 0.0 110.489 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.59 -40.08 88.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.044 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.768 HD11 ' OD1' ' X' ' 8' ' ' ASN . 4.6 mm -69.9 -53.78 22.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.682 0.753 . . . . 0.0 110.753 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 tpt -60.87 -39.84 90.7 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.05 0.453 . . . . 0.0 111.271 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -45.58 93.66 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.53 -28.92 66.43 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.728 HD11 ' O ' ' A' ' 73' ' ' GLU . 14.2 tp -74.21 -41.7 60.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.682 -0.636 . . . . 0.0 110.046 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 61.76 0.21 Allowed 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 61' ' ' LEU . 99.9 mt-10 -60.05 -40.0 87.88 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.75 -19.2 61.42 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.98 35.57 49.52 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -96.52 -4.62 41.07 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.397 -1.061 . . . . 0.0 111.846 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.01 9.66 76.43 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -134.63 175.8 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -129.69 131.01 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 120.26 -1.525 . . . . 0.0 110.649 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.67 162.07 13.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.495 ' CD1' HG12 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -55.34 -39.67 70.31 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.139 -0.975 . . . . 0.0 109.145 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -65.61 -28.61 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.74 -1.85 . . . . 0.0 109.546 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.728 ' O ' HD11 ' A' ' 61' ' ' LEU . 90.5 mt-10 -83.16 -49.98 8.92 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.813 0.816 . . . . 0.0 109.862 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 1.3 t80 -60.1 -49.05 79.18 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.633 0.73 . . . . 0.0 111.414 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.613 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -59.99 -36.88 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 110.833 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -57.81 -29.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.151 -0.968 . . . . 0.0 108.415 179.126 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.5 HD12 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -67.93 -59.4 3.31 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 121.702 0.763 . . . . 0.0 112.486 -177.751 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 82' ' ' THR . 26.1 m -61.62 -37.25 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 CA-C-O 121.695 0.759 . . . . 0.0 110.745 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -66.75 -41.19 88.21 Favored 'General case' 0 C--N 1.287 -2.147 0 O-C-N 121.713 -0.617 . . . . 0.0 111.631 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.6 -25.28 53.74 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 113.031 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 mt -78.64 -53.23 7.4 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 119.753 -1.842 . . . . 0.0 109.939 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.589 HG23 ' H ' ' A' ' 83' ' ' VAL . 3.1 t -45.55 -53.22 9.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.278 -0.889 . . . . 0.0 110.697 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.589 ' H ' HG23 ' A' ' 82' ' ' THR . 16.1 m -52.46 -41.17 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.979 -1.076 . . . . 0.0 109.521 178.04 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.52 -25.12 65.87 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 t -71.43 -41.72 69.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.65 -39.97 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.376 -0.828 . . . . 0.0 109.656 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.458 -0.776 . . . . 0.0 110.232 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.57 -0.32 57.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.946 -1.096 . . . . 0.0 109.604 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -83.56 -13.91 53.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 108.824 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TRP . . . . . 0.449 ' CD2' ' O ' ' A' ' 90' ' ' TRP . 90.5 t90 . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 110.253 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 121.35 0.595 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.14 95.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.835 . . . . 0.0 111.65 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.115 -1.616 . . . . 0.0 109.637 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.86 -34.47 77.43 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -59.6 -45.72 91.06 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.674 0.749 . . . . 0.0 110.188 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.63 -27.8 65.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.789 -0.569 . . . . 0.0 111.871 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ttt -72.14 -48.75 41.34 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.524 -1.36 . . . . 0.0 110.261 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.99 -33.43 72.03 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.626 -0.671 . . . . 0.0 111.237 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -66.17 -55.85 14.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.448 -1.301 . . . . 0.0 109.987 -178.722 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.465 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.1 mp -45.45 -37.97 5.66 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.469 -1.394 . . . . 0.0 108.597 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.92 -39.77 82.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.345 -0.847 . . . . 0.0 110.702 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.47 -43.26 63.96 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.517 -1.364 . . . . 0.0 112.72 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.49 HG13 ' HD1' ' B' ' 15' ' ' PHE . 12.2 p -70.74 -39.97 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.821 -1.174 . . . . 0.0 109.93 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.641 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 5.4 m-30 -60.03 -40.36 89.09 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.722 -0.612 . . . . 0.0 110.225 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' B' ' 16' ' ' HIS . 3.0 p-80 -73.49 -24.02 60.13 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.018 -1.676 . . . . 0.0 110.498 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -53.99 51.79 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.966 -1.084 . . . . 0.0 110.884 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.492 ' ND1' HD21 ' B' ' 36' ' ' LEU . 32.1 m80 -83.21 -41.43 18.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.165 -0.96 . . . . 0.0 111.029 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 24' ' ' ASP . 9.3 t -56.59 -28.62 60.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.276 -0.89 . . . . 0.0 112.856 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.21 9.39 72.31 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.416 -1.428 . . . . 0.0 111.236 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -124.23 -62.8 1.25 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 118.809 1.304 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' B' ' 22' ' ' GLU . 35.3 mp0 -89.07 18.93 4.51 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.746 -1.221 . . . . 0.0 110.606 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.562 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -152.09 -155.49 7.06 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' B' ' 19' ' ' SER . 92.6 m-20 -86.85 168.77 13.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -1.145 . . . . 0.0 108.442 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -57.73 -49.38 76.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.263 -0.898 . . . . 0.0 111.983 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.33 24.12 11.14 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.588 -1.32 . . . . 0.0 111.486 -177.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -139.54 146.63 40.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 108.739 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -93.8 164.35 13.16 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.049 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.52 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.3 m -129.45 158.32 39.54 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.41 -0.806 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -48.24 -39.82 22.56 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.909 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -74.97 -23.88 58.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 119.604 -1.935 . . . . 0.0 109.732 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.562 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 81.5 mt-10 -76.45 -42.66 43.1 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.544 -0.722 . . . . 0.0 111.464 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.519 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.4 pp -59.75 -47.26 86.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.466 -1.396 . . . . 0.0 109.123 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.519 ' N ' HD12 ' B' ' 33' ' ' LEU . 80.4 tttt -61.06 -40.07 92.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.731 -0.606 . . . . 0.0 111.558 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -66.26 -42.5 88.43 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.492 HD21 ' ND1' ' B' ' 18' ' ' HIS . 54.5 mt -70.01 -39.98 75.52 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 119.308 -2.12 . . . . 0.0 110.774 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.52 -51.89 60.58 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.518 0.675 . . . . 0.0 112.492 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.58 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 5.1 pp0? -66.04 -37.12 85.06 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.889 0.852 . . . . 0.0 111.88 -178.204 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.58 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.3 m -55.0 -46.01 75.12 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.737 -0.602 . . . . 0.0 111.295 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -100.43 -12.33 19.46 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.17 -0.956 . . . . 0.0 111.603 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 mt -134.93 47.28 2.37 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.94 -1.1 . . . . 0.0 109.359 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.526 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 67.7 m -60.17 -48.45 81.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 110.438 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -69.96 -39.52 75.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 111.844 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.521 ' O ' ' C ' ' B' ' 45' ' ' LEU . 35.1 t80 -85.19 -92.57 0.09 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.796 -1.19 . . . . 0.0 113.399 -177.525 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.521 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -32.92 133.06 0.13 Allowed 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 116.826 -1.559 . . . . 0.0 108.176 -174.51 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 49.3 t0 -90.22 108.22 19.62 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 125.088 3.585 . . . . 0.0 110.129 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.2 m -143.47 -45.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.13 -0.981 . . . . 0.0 110.088 178.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.439 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 29.8 mt-30 -77.82 -47.38 19.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.665 -1.272 . . . . 0.0 111.441 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.2 mmtt -57.55 -57.67 11.69 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD2' ' OD1' ' Y' ' 6' ' ' ASP . 98.1 m-20 -96.53 89.57 5.05 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.01 65.2 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.01 -38.24 82.07 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.99 89.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.409 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -35.42 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.496 -1.377 . . . . 0.0 108.424 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.5 -39.96 94.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.969 -1.082 . . . . 0.0 110.432 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -66.84 -40.06 87.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.075 -1.016 . . . . 0.0 110.004 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.788 HD11 ' OD1' ' Y' ' 8' ' ' ASN . 4.9 mm -69.77 -53.5 23.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 121.668 0.747 . . . . 0.0 110.819 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.98 -39.85 91.19 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.053 0.454 . . . . 0.0 111.306 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -45.81 92.48 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.0 -26.55 64.13 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.744 HD11 ' O ' ' B' ' 73' ' ' GLU . 14.4 tp -76.05 -41.74 49.77 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.165 0.507 . . . . 0.0 109.76 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.09 61.74 0.2 Allowed 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.8 mt-10 -59.97 -39.98 87.52 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.98 -19.24 61.26 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 35.52 49.49 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.331 -1.908 . . . . 0.0 108.331 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -96.5 -4.9 40.65 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.507 -0.996 . . . . 0.0 111.822 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.03 9.94 77.01 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.78 176.02 9.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.409 HG11 HD21 ' B' ' 61' ' ' LEU . 2.6 t -129.88 131.2 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.357 0 O-C-N 120.249 -1.532 . . . . 0.0 110.649 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -94.73 161.81 14.03 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.451 ' CD1' HG12 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -55.33 -39.57 70.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.044 -1.035 . . . . 0.0 109.135 -179.239 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.86 -28.49 69.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 119.736 -1.853 . . . . 0.0 109.573 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.744 ' O ' HD11 ' B' ' 61' ' ' LEU . 93.0 mt-10 -83.32 -49.9 8.91 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.788 0.804 . . . . 0.0 109.763 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.641 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.3 t80 -59.95 -49.0 79.41 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.5 -0.75 . . . . 0.0 111.447 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.546 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.3 p -59.99 -37.16 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 110.802 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.478 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -57.52 -29.66 34.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.22 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.522 HD12 HD22 ' B' ' 61' ' ' LEU . 0.6 OUTLIER -68.13 -59.5 3.19 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.787 0.803 . . . . 0.0 112.485 -177.651 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.419 ' O ' HG22 ' B' ' 82' ' ' THR . 26.0 m -61.73 -37.18 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.661 0.743 . . . . 0.0 110.721 -178.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.613 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -66.86 -41.39 87.4 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 121.681 -0.637 . . . . 0.0 111.471 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.16 54.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.853 -1.155 . . . . 0.0 113.02 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.93 -53.29 7.21 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.666 -1.896 . . . . 0.0 109.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.585 HG23 ' H ' ' B' ' 83' ' ' VAL . 3.1 t -45.41 -53.24 8.97 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.391 -0.818 . . . . 0.0 110.629 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.585 ' H ' HG23 ' B' ' 82' ' ' THR . 16.5 m -52.48 -41.28 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.03 . . . . 0.0 109.641 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.449 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.3 -25.24 65.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.21 -41.65 69.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.339 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.8 -40.01 91.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 0.0 109.613 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.395 -0.815 . . . . 0.0 110.264 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.5 -0.43 57.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.979 -1.076 . . . . 0.0 109.573 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -83.52 -13.76 53.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 108.933 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' CD2' ' B' ' 90' ' ' TRP . 90.4 t90 . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.465 -0.772 . . . . 0.0 110.246 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.602 HG23 ' O ' ' X' ' 5' ' ' ILE . 8.0 tt . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -128.63 10.93 6.16 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.149 -0.97 . . . . 0.0 109.463 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.671 ' O ' HG22 ' X' ' 10' ' ' ILE . 4.6 p-90 -60.03 -40.71 90.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.092 -1.005 . . . . 0.0 110.413 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.742 ' ND2' HD11 ' A' ' 57' ' ' ILE . 22.2 t-20 -53.05 -39.04 62.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.345 -2.097 . . . . 0.0 108.578 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -55.69 -23.05 26.44 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.671 HG22 ' O ' ' X' ' 7' ' ' TRP . 10.6 tt -51.71 -38.09 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 81' ' ' LEU . 58.8 tp -64.31 -40.24 95.53 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.204 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.579 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.952 HG23 ' H ' ' Y' ' 6' ' ' ASP . 12.2 tt . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 120.344 0.116 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . 0.952 ' H ' HG23 ' Y' ' 5' ' ' ILE . 4.3 p-10 42.24 16.86 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.1 -1.0 . . . . 0.0 110.252 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.686 ' O ' HG22 ' Y' ' 10' ' ' ILE . 25.7 t90 -60.34 -50.42 73.68 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.043 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.571 ' CG ' HD11 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -53.69 -31.16 46.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 119.909 -1.745 . . . . 0.0 109.141 -178.937 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -57.41 -24.84 57.93 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.686 HG22 ' O ' ' Y' ' 7' ' ' TRP . 4.2 tt -54.98 -37.5 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.457 HD22 ' CD2' ' B' ' 81' ' ' LEU . 54.5 tp -62.73 -41.89 99.39 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.649 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.824 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.803 0 N-CA-C 119.57 2.588 . . . . 0.0 119.57 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -77.91 158.08 29.53 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -1.162 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -41.29 -56.13 2.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.451 -0.781 . . . . 0.0 111.133 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 4' ' ' LEU . 17.7 mt -69.12 -41.25 77.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.851 -1.156 . . . . 0.0 110.282 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 -35.03 74.78 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.934 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 92.4 m -58.91 -50.04 75.54 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.781 -0.574 . . . . 0.0 109.881 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.27 67.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.675 -0.64 . . . . 0.0 112.349 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -70.23 -45.57 66.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.278 -1.514 . . . . 0.0 109.912 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.93 61.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.474 -0.766 . . . . 0.0 110.619 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -67.48 -57.83 5.83 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.481 -178.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 7.5 mp -50.95 -29.67 12.83 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.313 -1.492 . . . . 0.0 108.847 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.62 -39.44 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.277 -0.889 . . . . 0.0 109.804 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -70.42 -56.08 7.5 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.003 -1.061 . . . . 0.0 112.863 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.3 p -61.36 -50.02 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.43 -0.794 . . . . 0.0 111.922 -177.025 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.7 t80 -60.07 -40.16 88.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.155 -0.965 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.92 -40.0 87.36 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.497 -1.377 . . . . 0.0 110.034 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -80.1 -45.17 18.7 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.604 -1.31 . . . . 0.0 111.457 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 24' ' ' ASP . 8.3 t -60.05 -28.01 67.42 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -177.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.41 4.91 77.35 Favored Glycine 0 N--CA 1.497 2.715 0 O-C-N 120.444 -1.41 . . . . 0.0 110.73 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.94 -61.4 1.24 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.429 -1.042 . . . . 0.0 110.312 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 54.7 mp0 -81.11 10.21 5.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 110.653 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -150.58 -146.44 4.33 Favored Glycine 0 N--CA 1.499 2.866 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.822 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 29.0 t0 -88.28 165.39 15.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.613 -0.934 . . . . 0.0 108.69 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 68.5 mmtt -55.45 -50.63 69.35 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.155 -0.966 . . . . 0.0 111.278 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -120.82 25.0 9.95 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 120.772 -1.205 . . . . 0.0 111.847 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -137.96 147.34 44.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.667 -1.27 . . . . 0.0 109.359 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.6 tp -98.04 163.78 12.62 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.262 -177.443 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.546 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 48.0 t -130.46 160.72 33.24 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.44 -43.72 11.63 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.327 -0.858 . . . . 0.0 112.255 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.68 -25.81 60.42 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 119.7 -1.875 . . . . 0.0 110.136 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HB2' ' H ' ' A' ' 29' ' ' SER . 68.2 mt-10 -77.72 -43.5 30.82 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.037 -1.039 . . . . 0.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.4 pp -56.04 -43.51 77.91 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.343 -1.473 . . . . 0.0 107.696 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 33' ' ' LEU . 76.4 tttt -60.08 -39.82 87.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 -178.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.5 -40.02 92.55 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.46 -0.775 . . . . 0.0 111.557 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 14' ' ' VAL . 3.1 mm? -61.54 -51.39 68.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.634 -1.291 . . . . 0.0 111.129 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.86 -41.04 75.38 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' THR . 1.7 pp0? -73.58 -39.93 64.28 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.088 -1.007 . . . . 0.0 112.898 -176.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 93.8 m -59.85 -46.62 88.7 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.974 -0.69 . . . . 0.0 111.201 -175.785 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.11 -16.22 17.13 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.309 -0.869 . . . . 0.0 112.457 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.879 HD13 HD23 ' A' ' 45' ' ' LEU . 88.1 mt -132.98 49.01 2.35 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.772 -1.205 . . . . 0.0 109.497 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.559 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 23.2 t -60.77 -49.8 76.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 110.335 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -64.91 -40.2 94.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.339 -0.851 . . . . 0.0 111.962 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.669 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.4 t80 -90.77 -101.36 0.1 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.761 -1.212 . . . . 0.0 111.989 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.879 HD23 HD13 ' A' ' 41' ' ' LEU . 2.0 mm? -8.5 137.43 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.357 0 CA-C-O 115.763 -2.065 . . . . 0.0 109.253 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.08 116.08 27.1 Favored 'General case' 0 N--CA 1.515 2.824 1 CA-C-N 126.9 4.409 . . . . 0.0 109.772 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ASP . 89.6 t -145.67 -87.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.794 -1.191 . . . . 0.0 110.436 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.401 ' N ' HG12 ' A' ' 47' ' ' VAL . 63.3 mm-40 -60.6 -40.42 91.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.997 -1.064 . . . . 0.0 111.154 -178.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 14.1 mtmm -60.87 -24.36 65.87 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' VAL . 31.7 t70 -145.19 90.22 2.02 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -30.1 64.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.03 -39.58 86.38 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.86 87.52 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.128 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -37.65 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.438 -1.414 . . . . 0.0 109.742 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.69 -40.01 80.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 0.0 110.889 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -64.78 -39.9 94.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.161 -0.962 . . . . 0.0 109.393 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.742 HD11 ' ND2' ' X' ' 8' ' ' ASN . 68.8 mt -65.82 -52.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 CA-C-O 121.916 0.865 . . . . 0.0 110.699 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.466 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.74 -36.17 78.22 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.699 -0.626 . . . . 0.0 110.286 -179.353 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -59.92 -43.28 95.0 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.08 -25.16 67.54 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.0 mt -93.28 -22.97 18.67 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.503 -0.748 . . . . 0.0 110.176 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.466 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 60.6 m-20 -76.55 45.23 0.39 Allowed 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 61' ' ' LEU . 96.2 mt-10 -60.03 -41.68 92.77 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.024 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.525 HD21 ' CG ' ' A' ' 66' ' ' ASP . 38.8 p30 -75.54 -21.03 58.29 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 76.93 37.65 32.73 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 108.131 -1.987 . . . . 0.0 108.131 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' CG ' HD21 ' A' ' 64' ' ' ASN . 34.5 p-10 -96.81 -8.74 30.32 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.404 -1.056 . . . . 0.0 111.405 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.72 10.21 86.38 Favored Glycine 0 N--CA 1.501 3.011 0 O-C-N 120.872 -1.143 . . . . 0.0 110.405 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -133.63 175.09 9.74 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.763 -1.434 . . . . 0.0 107.92 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.1 128.21 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.721 -1.237 . . . . 0.0 108.442 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -93.68 164.37 13.18 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -56.66 -32.18 65.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.059 -1.026 . . . . 0.0 109.293 -179.018 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.35 -26.87 62.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.826 -1.171 . . . . 0.0 109.604 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 76' ' ' VAL . 59.2 mt-10 -84.27 -46.98 11.25 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.138 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -67.4 -42.58 83.06 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.313 -0.867 . . . . 0.0 110.954 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.798 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.7 p -62.8 -37.98 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -59.9 -35.41 60.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.934 -1.104 . . . . 0.0 108.853 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.3 tm? -70.46 -51.4 29.47 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.44 -0.787 . . . . 0.0 112.729 -178.136 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 79' ' ' ALA . 34.5 m -59.76 -35.39 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 O-C-N 120.641 -1.287 . . . . 0.0 109.283 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.849 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -67.18 -40.83 86.64 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-O 121.692 0.758 . . . . 0.0 110.439 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.289 -0.882 . . . . 0.0 112.597 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.494 ' CD2' HD22 ' X' ' 11' ' ' LEU . 1.4 mm? -78.53 -44.73 23.6 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.108 -1.62 . . . . 0.0 109.983 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 83' ' ' VAL . 0.8 OUTLIER -53.51 -49.64 67.12 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.175 -0.953 . . . . 0.0 109.849 178.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 82' ' ' THR . 15.4 m -59.92 -41.78 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.086 -1.009 . . . . 0.0 110.299 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.445 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -61.44 -23.6 65.96 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.41 -0.806 . . . . 0.0 109.077 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.39 -47.51 41.47 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.184 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.59 -43.1 97.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 110.154 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -64.9 -40.19 94.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.41 -0.806 . . . . 0.0 110.73 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 63.9 t80 -88.2 -4.33 58.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.254 -0.904 . . . . 0.0 110.248 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -88.46 -23.76 23.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.099 -1.001 . . . . 0.0 109.539 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.696 -179.573 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 15.2 t . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 77.7 mm-40 -41.21 -56.14 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.401 -0.812 . . . . 0.0 111.228 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 4' ' ' LEU . 18.1 mt -69.28 -40.93 77.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.277 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.21 -35.73 76.09 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.839 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 10' ' ' THR . 93.8 m -58.4 -50.1 74.88 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.764 -0.585 . . . . 0.0 109.922 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.96 67.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.61 -0.681 . . . . 0.0 112.432 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.8 mtp -70.69 -45.27 65.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.393 -1.442 . . . . 0.0 110.039 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.92 61.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.578 -0.701 . . . . 0.0 110.543 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.2 OUTLIER -67.63 -57.69 5.97 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 121.068 -1.02 . . . . 0.0 108.599 -178.907 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 7.3 mp -51.02 -29.71 13.27 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.343 -1.473 . . . . 0.0 108.878 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mm -69.7 -38.95 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.27 -0.894 . . . . 0.0 109.748 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.77 -56.14 7.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.046 -1.034 . . . . 0.0 112.865 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.575 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -61.34 -50.09 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.5 -0.75 . . . . 0.0 111.825 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.575 ' N ' HG13 ' B' ' 14' ' ' VAL . 1.7 t80 -60.07 -39.93 87.76 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.009 -1.057 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.17 -39.8 87.7 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.459 -1.4 . . . . 0.0 109.877 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.76 64.27 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -80.34 -45.14 18.3 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.623 -1.298 . . . . 0.0 111.473 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 24' ' ' ASP . 8.4 t -59.97 -28.26 67.53 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.111 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.19 4.57 77.67 Favored Glycine 0 N--CA 1.497 2.73 0 O-C-N 120.436 -1.415 . . . . 0.0 110.822 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -125.71 -61.41 1.25 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.365 -1.079 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 54.6 mp0 -81.05 10.1 5.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.889 -1.132 . . . . 0.0 110.688 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -150.28 -146.27 4.29 Favored Glycine 0 N--CA 1.498 2.784 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 19' ' ' SER . 28.8 t0 -88.51 165.39 14.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.711 -0.876 . . . . 0.0 108.745 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 68.1 mmtt -55.61 -50.6 69.71 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.192 -0.942 . . . . 0.0 111.249 -177.813 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -120.67 24.72 10.14 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.764 -1.21 . . . . 0.0 111.832 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -137.75 146.88 44.19 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.523 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.567 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.4 tp -97.43 164.03 12.62 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.32 -177.546 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.543 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 47.3 t -130.67 160.76 33.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.447 -0.783 . . . . 0.0 109.417 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -45.42 -43.56 11.39 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.23 -0.919 . . . . 0.0 112.208 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -73.83 -25.92 60.33 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 119.637 -1.914 . . . . 0.0 110.114 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.543 ' HB2' ' H ' ' B' ' 29' ' ' SER . 68.2 mt-10 -77.6 -43.64 30.94 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.032 -1.042 . . . . 0.0 111.815 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.723 HD12 ' N ' ' B' ' 34' ' ' LYS . 4.4 pp -55.99 -43.26 77.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.377 -1.452 . . . . 0.0 107.807 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.723 ' N ' HD12 ' B' ' 33' ' ' LEU . 77.4 tttt -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.44 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.43 -40.09 92.87 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.466 -0.771 . . . . 0.0 111.576 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.492 ' CD1' HG22 ' B' ' 14' ' ' VAL . 3.2 mm? -61.57 -51.04 70.2 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.583 -1.323 . . . . 0.0 111.192 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.02 -41.18 74.63 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' B' ' 39' ' ' THR . 1.7 pp0? -73.45 -39.91 64.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 112.979 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.488 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.8 m -60.12 -46.8 88.42 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.07 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.95 -16.31 17.22 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.194 -0.941 . . . . 0.0 112.311 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.847 HD13 HD23 ' B' ' 45' ' ' LEU . 88.1 mt -132.28 48.92 2.37 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.791 -1.193 . . . . 0.0 109.65 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.539 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 22.2 t -61.02 -49.76 76.1 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.323 -0.861 . . . . 0.0 110.281 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -65.05 -40.12 94.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 111.815 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 15.2 t80 -91.83 -87.61 0.21 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.853 -1.155 . . . . 0.0 113.424 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.847 HD23 HD13 ' B' ' 41' ' ' LEU . 1.7 mm? -31.42 144.28 0.01 OUTLIER 'General case' 0 N--CA 1.519 3.016 0 CA-C-O 117.367 -1.301 . . . . 0.0 108.084 -174.267 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' Y' ' 8' ' ' ASN . 6.3 m-20 -89.21 115.09 26.46 Favored 'General case' 0 N--CA 1.505 2.275 0 CA-C-N 124.381 3.264 . . . . 0.0 109.332 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -145.47 -86.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.043 -1.036 . . . . 0.0 110.135 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.84 -39.91 90.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.082 -1.011 . . . . 0.0 111.227 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.7 mtmm -60.98 -24.82 66.4 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -144.94 90.05 2.02 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.73 -30.05 63.13 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.09 -39.82 87.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 177.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.47 87.99 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.9 -1.12 . . . . 0.0 110.139 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -37.78 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.409 -1.432 . . . . 0.0 109.747 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.71 -40.02 80.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 110.863 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.76 -39.94 94.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.096 -1.003 . . . . 0.0 109.347 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.571 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 74.3 mt -65.66 -52.08 54.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-O 121.915 0.864 . . . . 0.0 110.679 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.467 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -60.66 -36.25 78.24 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.895 -0.503 . . . . 0.0 110.284 -179.255 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.01 -43.02 95.52 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.74 -23.18 67.06 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' B' ' 63' ' ' GLU . 25.4 mt -94.96 -23.03 17.58 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.536 -0.727 . . . . 0.0 110.146 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.467 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 60.8 m-20 -76.7 45.06 0.39 Allowed 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' B' ' 61' ' ' LEU . 96.0 mt-10 -60.07 -41.59 92.75 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.885 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.528 HD21 ' CG ' ' B' ' 66' ' ' ASP . 39.0 p30 -75.47 -20.84 58.55 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 76.91 37.5 33.25 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 108.101 -2.0 . . . . 0.0 108.101 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.528 ' CG ' HD21 ' B' ' 64' ' ' ASN . 34.8 p-10 -96.84 -9.01 29.57 Favored 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.44 -1.035 . . . . 0.0 111.491 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.8 10.61 86.12 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.72 175.25 9.62 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.823 -1.398 . . . . 0.0 107.683 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -129.16 128.26 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.787 -1.195 . . . . 0.0 108.327 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -93.89 164.04 13.27 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.445 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -56.14 -32.35 64.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.121 -0.987 . . . . 0.0 109.482 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.18 -26.93 62.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.772 -1.205 . . . . 0.0 109.746 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.426 ' O ' HG12 ' B' ' 76' ' ' VAL . 59.3 mt-10 -84.39 -46.42 11.73 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.801 0.81 . . . . 0.0 110.255 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -67.68 -42.87 81.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.849 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.849 HG22 ' HB1' ' A' ' 79' ' ' ALA . 8.5 p -62.51 -37.92 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.477 -0.764 . . . . 0.0 110.642 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.426 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -59.95 -35.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.962 -1.086 . . . . 0.0 108.879 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.69 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.4 tm? -70.45 -51.51 28.73 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.523 -0.735 . . . . 0.0 112.841 -178.156 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.41 HG23 ' N ' ' B' ' 79' ' ' ALA . 34.4 m -59.75 -34.82 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.531 -1.356 . . . . 0.0 109.261 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.798 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -67.5 -41.04 85.14 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.801 0.81 . . . . 0.0 110.42 178.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -25.9 60.57 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.327 -0.858 . . . . 0.0 112.531 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.586 HD12 ' CZ3' ' Y' ' 7' ' ' TRP . 1.5 mm? -78.62 -44.87 22.88 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.163 -1.586 . . . . 0.0 109.884 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.455 HG23 ' H ' ' B' ' 83' ' ' VAL . 0.8 OUTLIER -53.19 -49.6 66.37 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.063 -1.023 . . . . 0.0 109.737 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.455 ' H ' HG23 ' B' ' 82' ' ' THR . 15.1 m -60.01 -41.42 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.167 -0.958 . . . . 0.0 110.123 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.438 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.93 -23.93 65.64 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.505 -0.747 . . . . 0.0 109.185 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.61 -48.13 34.94 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.51 -0.744 . . . . 0.0 110.098 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -59.99 -43.41 95.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.211 -0.931 . . . . 0.0 110.166 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.02 -39.95 94.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.325 -0.86 . . . . 0.0 110.75 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 65.2 t80 -88.51 -3.72 58.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.088 -1.007 . . . . 0.0 110.249 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -88.89 -24.12 22.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.09 -1.006 . . . . 0.0 109.449 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 0.0 109.586 -179.594 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.441 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 4.6 pt . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.619 0.723 . . . . 0.0 109.103 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -122.31 21.57 10.3 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.687 ' O ' HG22 ' X' ' 10' ' ' ILE . 43.0 t90 -58.86 -49.8 76.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.974 -178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.777 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 1.2 m120 -51.4 -34.87 36.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.162 -1.587 . . . . 0.0 108.432 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -55.05 -26.1 35.23 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.687 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.7 tt -53.42 -33.91 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.622 HD13 ' C ' ' X' ' 11' ' ' LEU . 3.1 tm? -64.15 -46.19 85.15 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.819 179.435 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 10.5 pt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.795 0.807 . . . . 0.0 108.945 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 87.2 m-20 -113.06 22.35 14.45 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.39 -0.819 . . . . 0.0 110.282 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.64 ' O ' HG22 ' Y' ' 10' ' ' ILE . 31.3 t90 -57.95 -48.71 79.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.143 -0.973 . . . . 0.0 110.997 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.583 ' N ' ' OD2' ' B' ' 46' ' ' ASP . 0.1 OUTLIER -49.37 -38.69 29.39 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.151 -1.593 . . . . 0.0 108.525 179.703 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.578 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 15.6 ttpp -57.3 -24.35 54.46 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.64 HG22 ' O ' ' Y' ' 7' ' ' TRP . 14.0 tt -54.7 -37.87 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 45.0 tp -66.38 -40.1 89.47 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.614 178.997 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.535 5.261 0 N-CA-C 119.332 2.493 . . . . 0.0 119.332 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.41 ' OG ' ' CD ' ' B' ' 40' ' ' GLU . 46.9 t -80.77 159.95 25.03 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.454 . . . . 0.0 109.069 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 37.2 mp0 -52.19 -46.22 65.47 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.36 -0.838 . . . . 0.0 110.188 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 4' ' ' LEU . 27.7 mt -70.3 -40.13 74.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.312 -0.868 . . . . 0.0 110.277 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.52 -27.93 67.39 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.099 -1.001 . . . . 0.0 108.937 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.3 m -59.35 -45.0 92.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.917 . . . . 0.0 109.726 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.84 70.76 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.1 ttt -69.6 -50.84 40.65 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.184 -1.572 . . . . 0.0 110.328 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.68 -32.69 70.03 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.77 -0.582 . . . . 0.0 112.095 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.68 -53.41 34.0 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.42 -178.342 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.1 mp -50.65 -39.86 51.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.62 -1.3 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.53 -38.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.38 -0.825 . . . . 0.0 111.527 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -79.6 -42.0 25.9 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.997 -1.689 . . . . 0.0 112.486 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.8 p -59.79 -39.4 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 120.5 -1.375 . . . . 0.0 108.483 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.444 ' CZ ' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.41 -38.89 85.45 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -62.83 -36.24 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.444 -1.41 . . . . 0.0 110.364 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -57.4 13.21 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.172 -0.955 . . . . 0.0 113.499 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.462 ' ND1' HD21 ' A' ' 36' ' ' LEU . 31.6 m80 -84.72 -40.19 17.62 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.758 -1.214 . . . . 0.0 111.804 -177.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 24' ' ' ASP . 60.2 p -56.74 -29.96 63.06 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.279 -0.888 . . . . 0.0 112.672 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.16 16.49 59.21 Favored Glycine 0 N--CA 1.503 3.162 0 O-C-N 120.577 -1.327 . . . . 0.0 111.445 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -125.74 -64.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.246 -1.15 . . . . 0.0 109.492 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.509 ' OE1' ' CE ' ' A' ' 31' ' ' LYS . 98.6 mt-10 -91.31 18.53 6.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.358 -0.839 . . . . 0.0 111.668 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -154.28 -156.08 7.52 Favored Glycine 0 N--CA 1.497 2.743 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.363 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 35.8 t0 -79.84 157.71 26.94 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 67.8 mttm -57.53 -50.15 74.03 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.066 -1.021 . . . . 0.0 112.176 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.441 ' OH ' ' O ' ' B' ' 86' ' ' ASN . 9.0 t80 -109.01 21.46 17.17 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 120.274 -1.516 . . . . 0.0 110.926 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -141.32 148.07 39.15 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 122.485 1.136 . . . . 0.0 110.178 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' CZ ' ' A' ' 15' ' ' PHE . 6.6 tp -92.51 166.27 12.61 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.873 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.57 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.9 t -131.23 163.14 28.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.31 -0.869 . . . . 0.0 110.321 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -50.27 -39.61 45.65 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.981 -1.088 . . . . 0.0 112.015 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.509 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 9.5 ttpp -75.96 -29.89 58.45 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 119.756 -1.84 . . . . 0.0 109.977 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HB2' ' H ' ' A' ' 29' ' ' SER . 83.4 mt-10 -71.47 -40.5 70.24 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.962 -1.086 . . . . 0.0 111.69 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 3.1 pp -61.14 -39.57 90.56 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.382 -1.449 . . . . 0.0 108.003 178.031 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 12.0 tptm -60.75 -39.38 88.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.72 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -73.96 -51.72 15.1 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.462 HD21 ' ND1' ' A' ' 18' ' ' HIS . 40.2 mt -60.91 -41.12 95.5 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 119.861 -1.774 . . . . 0.0 109.747 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD21 ' CE2' ' A' ' 74' ' ' PHE . 70.6 mt -70.11 -37.94 75.48 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 122.231 1.015 . . . . 0.0 110.019 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.484 ' NE2' ' CD ' ' A' ' 48' ' ' GLN . 45.5 tt0 -75.93 -39.75 55.53 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.537 0.684 . . . . 0.0 111.34 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.552 -0.717 . . . . 0.0 112.292 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 62.1 mm-40 -101.1 -24.06 14.36 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.926 -1.109 . . . . 0.0 111.779 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.2 mt -118.2 32.8 5.95 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -51.85 -62.53 1.57 Allowed 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.818 0.818 . . . . 0.0 109.93 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' OG ' ' A' ' 42' ' ' SER . 58.4 m -70.38 -23.51 62.79 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.625 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.4 t80 -82.57 -104.75 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.14 -1.6 . . . . 0.0 110.257 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.625 ' O ' ' O ' ' A' ' 44' ' ' PHE . 4.3 mp -16.34 151.23 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.364 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.461 173.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.777 ' H ' ' CG ' ' X' ' 8' ' ' ASN . 0.2 OUTLIER -89.93 95.34 10.18 Favored 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 123.83 3.014 . . . . 0.0 107.738 174.326 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 48' ' ' GLN . 5.2 t -126.82 -69.74 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 O-C-N 121.051 -1.03 . . . . 0.0 109.298 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.484 ' CD ' ' NE2' ' A' ' 38' ' ' GLN . 21.1 mm100 -68.75 -45.05 72.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.928 -1.107 . . . . 0.0 112.082 -177.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.49 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.58 -51.21 70.37 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 98.2 m-20 -101.38 94.78 6.1 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.56 78.3 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.31 -39.5 83.27 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.51 -36.4 64.18 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 118.568 -1.253 . . . . 0.0 108.651 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -39.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.218 -1.551 . . . . 0.0 108.118 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.22 -40.29 86.39 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.414 -0.804 . . . . 0.0 112.395 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.26 -40.0 86.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.336 -1.478 . . . . 0.0 109.281 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -68.26 -49.88 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-O 121.516 0.674 . . . . 0.0 110.461 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -59.89 -42.17 93.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.392 -0.817 . . . . 0.0 110.615 -179.373 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.51 94.21 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -59.54 -26.86 65.7 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.501 ' C ' ' H ' ' A' ' 63' ' ' GLU . 23.8 mt -94.24 -18.13 21.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.864 -0.522 . . . . 0.0 110.485 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 58' ' ' MET . 99.8 m-20 -75.58 43.7 0.25 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 61' ' ' LEU . 47.7 mt-10 -61.12 -42.98 99.51 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.092 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -76.47 -14.84 60.02 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.8 31.39 70.17 Favored Glycine 0 N--CA 1.484 1.839 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -92.05 -9.71 41.78 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.843 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.85 14.93 70.96 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.05 176.73 8.45 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' LEU . 2.4 t -134.38 124.15 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 38.0 p-10 -103.43 -22.36 13.66 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.229 -1.544 . . . . 0.0 111.319 -177.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER 159.81 -80.92 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.449 -0.782 . . . . 0.0 110.352 178.519 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.534 ' O ' HG23 ' A' ' 76' ' ' VAL . 59.0 tt0 -38.09 -23.94 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 CA-C-O 121.772 0.796 . . . . 0.0 110.051 -177.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 71' ' ' PHE . 92.6 mt-10 -82.97 -46.84 12.41 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.813 -1.179 . . . . 0.0 109.482 179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 71' ' ' PHE . 46.8 t80 -66.09 -55.4 16.7 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.539 -0.726 . . . . 0.0 112.441 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.468 HG21 ' CG1' ' B' ' 83' ' ' VAL . 0.8 OUTLIER -59.88 -31.32 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.279 -0.888 . . . . 0.0 110.013 -177.697 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 72' ' ' GLN . 43.5 t -63.37 -37.81 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.358 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.684 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.3 tm? -70.41 -57.86 4.36 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.331 -0.856 . . . . 0.0 112.183 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.543 HG23 ' N ' ' A' ' 79' ' ' ALA . 14.9 m -60.1 -40.15 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.117 -0.989 . . . . 0.0 109.31 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.543 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -59.4 -43.25 93.02 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-O 121.833 0.825 . . . . 0.0 109.583 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.7 59.89 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' X' ' 11' ' ' LEU . 6.1 mp -83.18 -46.52 12.62 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 119.601 -1.937 . . . . 0.0 110.233 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.492 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 6.1 t -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.954 -1.092 . . . . 0.0 110.675 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 84' ' ' ALA . 17.1 m -59.66 -42.06 87.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 O-C-N 120.181 -1.574 . . . . 0.0 108.875 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -63.43 -25.46 68.28 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.2 p -75.05 -37.27 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.213 -0.929 . . . . 0.0 109.042 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.446 ' CG ' ' HH ' ' B' ' 26' ' ' TYR . 28.4 t-20 -60.24 -40.43 90.2 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.79 -39.87 86.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -91.69 0.1 57.52 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.223 -0.923 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 64.6 t80 -83.2 -9.56 59.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.452 -0.78 . . . . 0.0 109.292 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.545 -0.722 . . . . 0.0 109.65 -179.343 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' SER . . . . . 0.411 ' OG ' ' CD ' ' A' ' 40' ' ' GLU . 44.9 t . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.372 0.606 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 40.2 mp0 -51.27 -47.04 62.6 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.87 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 4' ' ' LEU . 25.7 mt -70.07 -39.6 75.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.435 -0.79 . . . . 0.0 110.351 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.9 -27.43 66.63 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.878 -1.139 . . . . 0.0 109.007 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 90.3 m -59.4 -45.55 91.19 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.87 0.843 . . . . 0.0 109.426 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.98 68.97 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ttt -70.04 -50.07 44.96 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 110.38 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.36 -34.51 70.54 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.524 -0.735 . . . . 0.0 111.916 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -64.58 -53.81 41.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.413 -1.43 . . . . 0.0 109.5 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.3 mp -50.48 -40.3 50.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.51 -1.369 . . . . 0.0 109.22 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.231 -0.918 . . . . 0.0 111.635 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -78.45 -42.23 30.5 Favored 'General case' 0 N--CA 1.512 2.63 0 O-C-N 120.025 -1.672 . . . . 0.0 112.764 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.455 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -59.55 -40.15 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.459 -1.401 . . . . 0.0 108.102 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.455 ' N ' HG13 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -59.91 -38.8 83.34 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -63.56 -35.9 82.03 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.501 -1.374 . . . . 0.0 110.049 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -57.1 14.55 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.138 -0.977 . . . . 0.0 113.284 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.494 ' ND1' HD21 ' B' ' 36' ' ' LEU . 35.1 m80 -84.57 -40.24 17.79 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.919 -1.113 . . . . 0.0 112.025 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 24' ' ' ASP . 59.6 p -57.26 -29.31 63.73 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.458 -0.776 . . . . 0.0 113.012 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.13 14.15 62.75 Favored Glycine 0 N--CA 1.5 2.921 0 O-C-N 120.68 -1.263 . . . . 0.0 111.157 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -125.41 -63.7 1.12 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.334 -1.097 . . . . 0.0 109.972 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.494 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 99.5 mt-10 -91.63 18.52 7.37 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.322 -0.861 . . . . 0.0 111.615 -177.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.566 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -153.81 -156.77 7.79 Favored Glycine 0 N--CA 1.495 2.619 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.552 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 38.6 t0 -78.88 158.13 28.15 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 67.0 mttm -57.8 -50.56 72.86 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 119.091 -1.044 . . . . 0.0 112.135 -177.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.446 ' HH ' ' CG ' ' A' ' 86' ' ' ASN . 9.2 t80 -109.0 21.43 17.22 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 120.267 -1.521 . . . . 0.0 111.133 -178.084 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -140.64 147.71 39.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.878 -1.139 . . . . 0.0 110.084 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.416 ' CB ' ' O ' ' B' ' 69' ' ' VAL . 5.9 tp -91.31 166.98 12.63 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.937 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.542 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 28.7 t -132.04 163.53 28.23 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -50.76 -38.51 48.26 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 118.87 -1.132 . . . . 0.0 112.325 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.494 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 9.7 ttpp -76.98 -30.31 55.91 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 119.754 -1.841 . . . . 0.0 109.546 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.566 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 83.2 mt-10 -70.64 -41.59 71.99 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 2.9 pp -59.79 -39.98 86.76 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.151 -1.593 . . . . 0.0 108.221 177.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.427 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 11.3 tptm -60.69 -38.9 86.49 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.03 -51.58 15.42 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.494 HD21 ' ND1' ' B' ' 18' ' ' HIS . 46.3 mt -61.57 -41.47 97.44 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 119.946 -1.721 . . . . 0.0 109.687 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.431 HD21 ' CE2' ' B' ' 74' ' ' PHE . 80.0 mt -69.66 -36.65 76.23 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 122.013 0.911 . . . . 0.0 109.763 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . 41.6 tt0 -76.7 -39.89 50.55 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.806 0.812 . . . . 0.0 111.417 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.72 -0.613 . . . . 0.0 112.159 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 55.2 mm-40 -101.28 -24.98 14.14 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.765 -1.209 . . . . 0.0 111.417 -177.025 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.0 mt -115.81 30.22 7.48 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -49.92 -62.55 1.5 Allowed 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.62 0.724 . . . . 0.0 110.137 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.459 ' N ' ' OG ' ' B' ' 42' ' ' SER . 63.0 m -71.12 -23.15 62.03 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.826 -0.546 . . . . 0.0 112.372 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 4.0 t80 -83.1 -91.76 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.273 -1.517 . . . . 0.0 112.623 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.438 ' N ' ' CG ' ' B' ' 44' ' ' PHE . 2.4 mp -39.07 158.98 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -177.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER -89.5 94.94 10.06 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 122.329 2.331 . . . . 0.0 107.826 177.283 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 48' ' ' GLN . 6.8 t -127.38 -68.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.706 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.495 ' CD ' ' NE2' ' B' ' 38' ' ' GLN . 19.9 mm100 -68.99 -43.53 74.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.058 -1.026 . . . . 0.0 112.052 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.493 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -62.02 -51.68 67.03 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.246 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 95.3 m-20 -101.28 94.82 6.14 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.82 79.58 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.87 -39.85 86.66 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.05 61.74 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.516 -1.274 . . . . 0.0 108.621 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -39.78 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.181 -1.574 . . . . 0.0 107.522 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -66.06 -41.43 90.79 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -66.6 -39.76 88.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.174 -1.579 . . . . 0.0 109.257 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 44.0 mt -68.44 -49.13 68.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-O 121.475 0.655 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.438 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -60.81 -40.44 92.72 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.709 -0.62 . . . . 0.0 110.802 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -45.43 92.67 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.89 -25.31 64.99 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' B' ' 63' ' ' GLU . 19.2 mt -94.96 -19.41 20.25 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.85 -0.531 . . . . 0.0 110.278 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.438 ' OD1' ' SD ' ' B' ' 58' ' ' MET . 98.7 m-20 -74.78 43.23 0.19 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.382 -1.449 . . . . 0.0 107.742 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' B' ' 61' ' ' LEU . 47.1 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.397 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -75.74 -15.51 60.27 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.98 30.49 67.8 Favored Glycine 0 N--CA 1.482 1.702 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 30.8 p-10 -91.5 -9.45 44.37 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.285 -1.126 . . . . 0.0 111.004 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.43 16.4 71.48 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -140.11 175.44 9.59 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.416 ' O ' ' CB ' ' B' ' 28' ' ' LEU . 2.5 t -132.54 124.56 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 39.2 p-10 -103.33 -23.31 13.59 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.311 -1.493 . . . . 0.0 111.109 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.2 OUTLIER 160.61 -80.48 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.41 -0.806 . . . . 0.0 110.661 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.597 ' O ' HG23 ' B' ' 76' ' ' VAL . 60.6 tt0 -38.85 -23.73 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 121.584 0.707 . . . . 0.0 109.973 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' B' ' 71' ' ' PHE . 91.2 mt-10 -82.66 -45.07 14.96 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.864 -1.148 . . . . 0.0 109.685 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 71' ' ' PHE . 48.4 t80 -67.85 -54.8 16.11 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.729 -0.607 . . . . 0.0 112.573 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.439 HG21 ' CG1' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -60.13 -31.1 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 109.703 -177.732 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.597 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -62.85 -39.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 120.9 -1.125 . . . . 0.0 109.512 177.667 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.7 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.3 tm? -69.69 -57.75 4.76 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.923 -1.111 . . . . 0.0 112.284 -177.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.516 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.7 m -60.36 -40.2 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.727 -1.233 . . . . 0.0 109.268 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.516 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -59.74 -40.04 86.73 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.701 0.763 . . . . 0.0 110.146 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.54 -23.44 53.63 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.372 -0.83 . . . . 0.0 113.006 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.45 -46.11 12.88 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 119.451 -2.031 . . . . 0.0 110.063 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.491 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 6.0 t -55.26 -42.02 72.97 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.243 -0.911 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 75' ' ' VAL . 18.5 m -59.53 -40.65 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.502 -1.374 . . . . 0.0 108.755 177.007 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.462 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -65.13 -25.43 67.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.0 OUTLIER -75.36 -36.97 60.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.441 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 28.4 t-20 -60.06 -40.21 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 109.902 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -90.93 0.25 57.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.141 -0.974 . . . . 0.0 109.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 89' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 62.6 t80 -83.66 -9.92 58.55 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.28 -0.887 . . . . 0.0 109.207 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.102 -0.999 . . . . 0.0 109.678 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' X' X ' 5' ' ' ILE . . . . . 0.429 ' O ' ' OD1' ' X' ' 6' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.181 0 CA-C-O 121.982 0.896 . . . . 0.0 111.075 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 6' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 53.8 m-20 -159.66 13.53 0.14 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.687 ' O ' HG22 ' X' ' 10' ' ' ILE . 38.6 t90 -59.99 -50.1 75.08 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.506 ' CG ' HD11 ' A' ' 57' ' ' ILE . 7.0 t-20 -53.02 -33.75 53.16 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 119.732 -1.855 . . . . 0.0 108.682 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -63.27 -25.69 68.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.687 HG22 ' O ' ' X' ' 7' ' ' TRP . 8.9 tt -50.36 -36.44 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -69.96 -39.95 75.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.498 179.77 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 tt . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -146.11 9.06 1.1 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.621 ' O ' HG22 ' Y' ' 10' ' ' ILE . 48.4 t90 -59.99 -49.61 76.98 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.312 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.59 ' ND2' HD11 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -51.33 -38.54 53.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 119.717 -1.865 . . . . 0.0 108.463 -179.156 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.408 ' O ' ' OXT' ' Y' ' 12' ' ' SER . 0.6 OUTLIER -60.25 -23.4 64.06 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.541 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.621 HG22 ' O ' ' Y' ' 7' ' ' TRP . 13.2 tt -50.46 -39.75 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.8 tp -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . 0.408 ' OXT' ' O ' ' Y' ' 9' ' ' LYS . 1.4 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.342 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.824 0 N-CA-C 119.716 2.646 . . . . 0.0 119.716 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -86.1 35.32 0.64 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.32 -1.106 . . . . 0.0 108.884 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 4' ' ' LEU . 6.5 tt -60.16 -40.38 89.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.693 -1.255 . . . . 0.0 108.887 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -36.54 77.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.981 . . . . 0.0 109.062 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.495 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.3 m -53.56 -46.1 70.13 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.47 -0.769 . . . . 0.0 110.437 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.53 72.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.8 -0.563 . . . . 0.0 112.509 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.3 ttt -69.02 -50.0 52.64 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.787 -1.196 . . . . 0.0 110.757 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.49 -29.45 68.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.697 -0.627 . . . . 0.0 110.306 -176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.2 -56.96 13.5 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.392 -179.673 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -50.09 -39.97 44.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.059 -1.651 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.92 -25.61 34.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.112 -0.992 . . . . 0.0 109.778 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.74 -53.4 7.57 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.181 -0.949 . . . . 0.0 112.152 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 15' ' ' PHE . 22.9 m -65.09 -48.49 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 110.926 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.645 ' N ' HG23 ' A' ' 14' ' ' VAL . 4.6 t80 -60.0 -41.72 92.69 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.149 -0.969 . . . . 0.0 109.559 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.0 -40.04 92.02 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.313 -1.492 . . . . 0.0 109.386 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -55.88 28.43 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 92.2 m-70 -82.6 -41.29 19.7 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.904 -1.123 . . . . 0.0 111.879 -177.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 20.3 m -52.66 -28.42 21.52 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.333 -0.855 . . . . 0.0 112.161 -178.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.92 11.43 49.09 Favored Glycine 0 N--CA 1.504 3.196 0 O-C-N 120.739 -1.226 . . . . 0.0 111.244 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' A' ' 23' ' ' GLY . 95.0 mttt -127.01 -74.38 0.59 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.031 -1.276 . . . . 0.0 109.269 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' OE1' ' OD2' ' A' ' 35' ' ' ASP . 98.9 mt-10 -64.91 15.16 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 110.402 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -171.15 176.45 44.48 Favored Glycine 0 N--CA 1.484 1.842 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 23' ' ' GLY . 95.5 m-20 -36.84 163.14 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.037 0.922 . . . . 0.0 110.941 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.12 -50.11 65.14 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.563 -0.711 . . . . 0.0 111.733 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -131.6 39.3 3.51 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.828 -1.17 . . . . 0.0 111.861 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -137.35 143.08 41.84 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.753 -1.217 . . . . 0.0 109.57 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.0 tp -96.62 102.37 14.15 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 122.298 1.046 . . . . 0.0 108.513 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLU . 78.6 p -72.48 157.02 38.41 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 120.744 -1.223 . . . . 0.0 108.531 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -46.97 -32.04 3.6 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.141 178.078 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -75.12 -34.95 61.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 108.447 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 14.0 mm-40 -61.58 -39.98 93.09 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.719 HD11 HG21 ' A' ' 69' ' ' VAL . 38.5 mt -60.02 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 122.078 0.942 . . . . 0.0 109.801 178.415 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -51.84 -45.55 64.04 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.348 -176.135 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.428 ' O ' ' OG1' ' A' ' 39' ' ' THR . 76.8 m-20 -72.61 -26.92 61.86 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.366 -0.834 . . . . 0.0 111.287 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -69.03 -56.46 7.68 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.177 -1.577 . . . . 0.0 109.914 -178.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.661 ' H ' HD22 ' A' ' 37' ' ' LEU . 1.2 mm? -69.33 -40.08 77.79 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.811 0.815 . . . . 0.0 110.705 -178.66 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 42.9 tt0 -69.71 -40.36 76.34 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.6 0.714 . . . . 0.0 112.917 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.9 m -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 112.271 -175.268 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 44.3 mp0 -100.21 -17.62 17.27 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.95 -1.094 . . . . 0.0 111.741 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.527 HD13 HD13 ' A' ' 45' ' ' LEU . 16.0 mt -131.54 50.05 2.27 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 120.942 -1.099 . . . . 0.0 110.208 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.48 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 41.1 t -63.36 -48.77 76.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.05 -1.031 . . . . 0.0 110.296 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 m -68.35 -40.44 81.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.54 -0.725 . . . . 0.0 112.457 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.585 ' O ' ' C ' ' A' ' 45' ' ' LEU . 22.2 t80 -86.52 -105.68 0.06 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.477 -1.389 . . . . 0.0 111.741 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 44' ' ' PHE . 1.9 mp -9.08 130.44 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.131 0 CA-C-O 115.201 -2.333 . . . . 0.0 109.288 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' H ' ' HB2' ' X' ' 8' ' ' ASN . 15.0 t0 -90.17 110.47 21.5 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-N 127.491 4.678 . . . . 0.0 109.551 177.696 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 48' ' ' GLN . 6.5 m -144.82 -40.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.643 -1.285 . . . . 0.0 110.814 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.488 ' N ' HG23 ' A' ' 47' ' ' VAL . 6.4 tm0? -93.47 -34.22 13.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.091 -1.006 . . . . 0.0 111.889 -177.718 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 23.3 mtmm -69.25 -26.8 64.96 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.967 -1.083 . . . . 0.0 109.561 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 p-10 -140.22 87.91 2.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.994 -1.066 . . . . 0.0 108.231 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.56 -25.21 3.86 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.01 -40.02 87.81 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.91 -39.83 86.75 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.094 -1.043 . . . . 0.0 108.713 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.98 61.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.114 -0.991 . . . . 0.0 109.312 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.97 -40.03 75.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.216 . . . . 0.0 110.983 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.82 -40.06 76.11 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.506 HD11 ' CG ' ' X' ' 8' ' ' ASN . 65.3 mt -66.94 -56.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.718 0.771 . . . . 0.0 110.337 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.407 ' SD ' ' CG ' ' A' ' 30' ' ' LYS . 4.2 ttt -59.99 -33.99 72.71 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.709 -0.619 . . . . 0.0 109.889 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -60.05 -41.18 91.76 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.99 -26.41 66.79 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 73' ' ' GLU . 25.6 mt -86.61 -30.75 21.57 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.464 -0.773 . . . . 0.0 109.418 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.42 47.61 0.23 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' LEU . 94.6 mt-10 -59.94 -40.75 90.03 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.643 -0.823 . . . . 0.0 108.979 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -74.13 -24.7 59.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.09 17.21 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 38.0 p-10 -96.14 -10.54 27.98 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.491 -1.005 . . . . 0.0 112.071 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.64 -2.06 87.23 Favored Glycine 0 N--CA 1.505 3.271 0 O-C-N 120.872 -1.143 . . . . 0.0 111.206 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 24.0 mp0 -141.98 173.6 11.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.363 -1.669 . . . . 0.0 108.411 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.719 HG21 HD11 ' A' ' 33' ' ' LEU . 2.4 t -126.14 129.96 72.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.583 ' O ' ' HB2' ' A' ' 71' ' ' PHE . 32.7 p-10 -105.88 -13.49 15.49 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.859 -1.151 . . . . 0.0 112.772 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER 152.88 -86.99 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.948 0 CA-C-N 118.826 0.739 . . . . 0.0 110.923 176.724 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 76' ' ' VAL . 57.4 tt0 -37.1 -24.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 110.525 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 71' ' ' PHE . 96.9 mt-10 -82.5 -49.09 10.29 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 71' ' ' PHE . 72.8 t80 -63.15 -49.96 72.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.739 -0.601 . . . . 0.0 112.047 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.669 ' HB ' ' HB1' ' B' ' 79' ' ' ALA . 0.0 OUTLIER -57.75 -35.84 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.02 -1.05 . . . . 0.0 109.113 -179.189 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 72' ' ' GLN . 47.4 t -59.98 -39.98 81.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.706 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.2 tm? -65.97 -52.46 49.41 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.173 -0.955 . . . . 0.0 111.956 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.0 -39.2 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.898 -1.126 . . . . 0.0 109.011 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB1' ' HB ' ' B' ' 75' ' ' VAL . . . -60.05 -47.88 84.02 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 122.348 1.07 . . . . 0.0 110.971 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.88 -24.73 60.89 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.01 -49.09 11.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.574 -1.954 . . . . 0.0 109.924 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 83' ' ' VAL . 2.8 t -49.29 -47.19 47.11 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.02 . . . . 0.0 110.443 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.504 HG11 HG21 ' B' ' 75' ' ' VAL . 22.4 m -60.06 -41.06 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.992 -1.067 . . . . 0.0 109.987 178.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -62.8 -23.81 67.43 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.484 -0.76 . . . . 0.0 109.47 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.33 -48.4 34.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.434 -0.791 . . . . 0.0 110.299 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.59 -41.76 97.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 109.743 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 49.3 t-20 -62.13 -40.07 94.71 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.442 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 65.2 t80 -82.48 -10.75 58.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.98 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.55 -34.09 35.7 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.258 -0.901 . . . . 0.0 108.599 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 . . . . . 0 C--N 1.304 -1.38 0 O-C-N 121.606 -0.684 . . . . 0.0 110.577 -179.082 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.492 1.675 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.12 -39.92 87.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 110.142 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.437 HD23 ' O ' ' B' ' 4' ' ' LEU . 6.6 tt -60.17 -40.3 89.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.765 -1.21 . . . . 0.0 108.947 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -36.62 77.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.054 -1.029 . . . . 0.0 108.997 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.498 ' O ' ' OG1' ' B' ' 10' ' ' THR . 22.3 m -53.4 -46.45 69.7 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.526 -0.734 . . . . 0.0 110.459 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -31.88 73.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.0 ttt -69.18 -50.05 51.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.85 -1.156 . . . . 0.0 110.747 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.4 -29.72 68.47 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.704 -0.622 . . . . 0.0 110.304 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -61.85 -57.23 12.62 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.371 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -49.85 -40.08 41.16 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.097 -1.627 . . . . 0.0 109.435 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.96 -25.48 34.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.112 -0.993 . . . . 0.0 109.84 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.22 -0.925 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.626 HG23 ' N ' ' B' ' 15' ' ' PHE . 21.6 m -64.92 -48.42 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.644 -0.66 . . . . 0.0 110.933 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.626 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.9 t80 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.186 -0.946 . . . . 0.0 109.584 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.13 -39.97 92.05 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.357 -1.464 . . . . 0.0 109.38 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.03 -56.03 26.69 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 91.9 m-70 -82.42 -41.65 19.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.893 -1.13 . . . . 0.0 111.813 -177.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.8 m -52.54 -28.24 19.95 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.399 -0.813 . . . . 0.0 112.151 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.07 11.27 48.48 Favored Glycine 0 N--CA 1.503 3.101 0 O-C-N 120.769 -1.207 . . . . 0.0 111.381 -178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' B' ' 23' ' ' GLY . 95.0 mttt -126.87 -74.28 0.6 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.012 -1.287 . . . . 0.0 109.271 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.94 15.14 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.364 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 23' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -171.21 176.76 44.43 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 119.121 -1.514 . . . . 0.0 110.818 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 23' ' ' GLY . 95.1 m-20 -37.0 163.13 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.026 0.917 . . . . 0.0 110.981 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -53.09 -50.11 65.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.518 -0.739 . . . . 0.0 111.74 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.47 38.68 3.58 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.822 -1.173 . . . . 0.0 111.871 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -137.02 142.9 42.49 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.666 -1.271 . . . . 0.0 109.61 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.416 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.0 tp -96.41 102.37 14.15 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.353 1.073 . . . . 0.0 108.589 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 32' ' ' GLU . 78.7 p -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.289 -2.031 0 O-C-N 120.702 -1.249 . . . . 0.0 108.558 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.539 ' HA ' HD12 ' B' ' 33' ' ' LEU . 0.1 OUTLIER -46.92 -32.0 3.52 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.233 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -75.17 -34.9 61.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.431 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 13.8 mm-40 -61.62 -39.95 93.12 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.704 HD11 HG21 ' B' ' 69' ' ' VAL . 37.4 mt -60.09 -49.03 79.27 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.955 0.883 . . . . 0.0 109.685 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' B' ' 38' ' ' GLN . 0.2 OUTLIER -51.9 -45.69 64.3 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.286 -176.074 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -72.44 -26.88 62.0 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.308 -0.87 . . . . 0.0 111.364 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -69.18 -56.4 7.75 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.186 -1.571 . . . . 0.0 109.935 -178.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.646 HD22 ' H ' ' B' ' 37' ' ' LEU . 1.3 mm? -69.55 -39.97 77.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.795 0.807 . . . . 0.0 110.632 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 43.6 tt0 -69.84 -40.23 75.95 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 0.0 112.311 -175.366 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 44.6 mp0 -100.06 -17.76 17.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.03 -1.044 . . . . 0.0 111.657 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.518 HD13 HD13 ' B' ' 45' ' ' LEU . 16.9 mt -131.39 49.92 2.28 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.96 -1.088 . . . . 0.0 110.172 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.449 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 42.4 t -63.13 -49.08 75.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.111 -0.993 . . . . 0.0 110.296 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.4 m -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.56 -0.712 . . . . 0.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.601 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.5 t80 -87.61 -91.95 0.11 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.641 -1.287 . . . . 0.0 113.171 -177.588 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.4 mp -32.33 137.53 0.06 Allowed 'General case' 0 N--CA 1.515 2.788 0 CA-C-O 116.899 -1.524 . . . . 0.0 108.19 -174.6 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.481 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 17.0 t0 -90.23 110.02 21.08 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-N 124.999 3.545 . . . . 0.0 109.054 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.49 HG23 ' N ' ' B' ' 48' ' ' GLN . 10.0 m -145.04 -40.85 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.972 -1.08 . . . . 0.0 110.497 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.49 ' N ' HG23 ' B' ' 47' ' ' VAL . 6.6 tm0? -93.37 -34.48 13.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 111.938 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 23.4 mtmm -68.92 -27.09 65.45 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.954 -1.091 . . . . 0.0 109.558 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 15.6 p-10 -140.4 87.82 2.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.041 -1.037 . . . . 0.0 108.268 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -24.99 3.52 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.05 -40.41 89.33 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.352 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -33.91 59.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.135 -0.978 . . . . 0.0 109.499 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -70.05 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.738 -1.226 . . . . 0.0 110.891 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -69.95 -40.1 75.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.187 -0.946 . . . . 0.0 109.956 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.59 HD11 ' ND2' ' Y' ' 8' ' ' ASN . 57.2 mt -66.84 -56.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.653 0.74 . . . . 0.0 110.224 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.406 ' SD ' ' CG ' ' B' ' 30' ' ' LYS . 4.3 ttt -59.96 -34.01 72.7 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.663 -0.648 . . . . 0.0 109.916 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -60.02 -41.27 91.82 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -24.09 65.24 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.542 HD22 ' O ' ' B' ' 73' ' ' GLU . 23.9 mt -88.45 -30.76 19.19 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.505 -0.747 . . . . 0.0 109.117 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -73.54 47.55 0.24 Allowed 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' B' ' 61' ' ' LEU . 94.5 mt-10 -59.97 -40.68 89.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.611 -0.835 . . . . 0.0 108.884 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.19 -24.71 59.4 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.96 39.07 17.57 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 107.866 -2.094 . . . . 0.0 107.866 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 38.4 p-10 -96.02 -10.77 27.69 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.472 -1.017 . . . . 0.0 112.083 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.6 -1.74 87.21 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 120.87 -1.144 . . . . 0.0 111.231 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 24.1 mp0 -142.13 173.63 11.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.476 -1.603 . . . . 0.0 108.299 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.704 HG21 HD11 ' B' ' 33' ' ' LEU . 2.5 t -125.96 130.01 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 33.9 p-10 -105.69 -13.89 15.43 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.823 -1.173 . . . . 0.0 112.749 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.1 OUTLIER 153.15 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.946 0 CA-C-N 118.83 0.741 . . . . 0.0 110.915 176.819 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.574 ' O ' HG23 ' B' ' 76' ' ' VAL . 57.0 tt0 -37.23 -24.49 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' B' ' 71' ' ' PHE . 97.0 mt-10 -82.71 -49.17 10.05 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' B' ' 71' ' ' PHE . 72.5 t80 -62.85 -50.02 72.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.653 -0.654 . . . . 0.0 112.059 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.675 ' HB ' ' HB1' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -57.84 -35.75 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.142 -179.054 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 72' ' ' GLN . 44.9 t -60.02 -39.91 81.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.441 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.695 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.3 tm? -66.08 -52.37 49.51 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.152 -0.967 . . . . 0.0 112.015 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.468 ' H ' HG23 ' B' ' 78' ' ' VAL . 1.4 t -60.06 -39.09 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.834 -1.166 . . . . 0.0 108.904 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.669 ' HB1' ' HB ' ' A' ' 75' ' ' VAL . . . -60.04 -47.74 84.59 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.398 1.094 . . . . 0.0 111.042 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.11 -24.66 60.66 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.17 -48.77 11.66 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 119.592 -1.942 . . . . 0.0 109.993 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.452 HG23 ' N ' ' B' ' 83' ' ' VAL . 2.8 t -49.63 -47.2 49.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 110.39 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.494 HG11 HG21 ' A' ' 75' ' ' VAL . 24.9 m -60.04 -41.17 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.059 -1.026 . . . . 0.0 110.129 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.458 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -62.54 -23.89 67.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.53 -0.732 . . . . 0.0 109.41 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.44 -48.14 36.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.391 -0.818 . . . . 0.0 110.331 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -61.65 -41.77 97.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.102 -0.999 . . . . 0.0 109.819 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 48.9 t-20 -62.12 -39.95 94.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 110.361 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.436 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 65.1 t80 -82.49 -11.17 58.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.862 . . . . 0.0 109.979 -178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.73 -34.64 39.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.257 -0.902 . . . . 0.0 108.686 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 . . . . . 0 C--N 1.305 -1.367 0 O-C-N 121.624 -0.673 . . . . 0.0 110.572 -178.901 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 pt . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -124.66 9.31 8.31 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.88 0.848 . . . . 0.0 109.436 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 7' ' ' TRP . . . . . 0.723 ' O ' HG22 ' X' ' 10' ' ' ILE . 4.8 p-90 -60.03 -48.56 81.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.207 -0.933 . . . . 0.0 110.291 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 8' ' ' ASN . . . . . 0.62 ' N ' ' CG ' ' X' ' 7' ' ' TRP . 3.7 p30 -46.31 -39.76 10.66 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.423 -1.423 . . . . 0.0 109.967 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -59.18 -24.06 62.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' X' X ' 10' ' ' ILE . . . . . 0.723 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.1 tt -49.73 -36.22 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 11' ' ' LEU . . . . . 0.681 HD23 ' C ' ' X' ' 11' ' ' LEU . 7.5 tt -67.95 -43.28 79.42 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.5 179.69 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' Y' Y ' 5' ' ' ILE . . . . . 0.407 HD13 HG21 ' Y' ' 5' ' ' ILE . 12.1 pt . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -128.42 12.43 6.46 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.209 -0.932 . . . . 0.0 109.3 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' Y' Y ' 7' ' ' TRP . . . . . 0.708 ' O ' HG22 ' Y' ' 10' ' ' ILE . 5.3 p-90 -60.05 -47.33 86.29 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.024 0.916 . . . . 0.0 109.207 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Y' Y ' 8' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 3.5 p30 -48.26 -38.29 18.34 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.391 -1.443 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Y' Y ' 9' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' Y' ' 12' ' ' SER . 25.1 ttpt -59.84 -23.27 63.24 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Y' Y ' 10' ' ' ILE . . . . . 0.708 HG22 ' O ' ' Y' ' 7' ' ' TRP . 8.2 tt -49.96 -34.54 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.31 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' Y' Y ' 11' ' ' LEU . . . . . 0.448 HD21 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -69.95 -40.01 75.72 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.518 179.378 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 36.0 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.465 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.517 2.567 . . . . 0.0 119.517 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -89.87 20.44 4.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.866 -1.373 . . . . 0.0 109.788 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 32.8 mp0 -59.96 -40.06 87.72 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.162 -0.961 . . . . 0.0 110.278 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.94 -43.69 98.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.452 -1.405 . . . . 0.0 109.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.02 -36.92 78.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.506 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.1 m -55.67 -50.24 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.652 0.739 . . . . 0.0 110.416 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.82 73.17 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.0 -47.42 62.24 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.621 -1.299 . . . . 0.0 110.154 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.03 -25.05 63.38 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.746 -0.597 . . . . 0.0 110.51 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.328 -0.857 . . . . 0.0 109.952 -178.61 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.589 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 8.2 mp -52.81 -39.97 62.86 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.119 -1.613 . . . . 0.0 109.025 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -66.18 -40.03 85.93 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 120.891 -1.131 . . . . 0.0 112.284 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -81.99 -48.65 11.19 Favored 'General case' 0 N--CA 1.511 2.588 0 O-C-N 119.944 -1.723 . . . . 0.0 113.528 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -38.51 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.415 -1.428 . . . . 0.0 108.089 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.758 ' CD1' HD21 ' A' ' 36' ' ' LEU . 15.5 m-30 -60.0 -37.67 80.38 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.4 -32.67 74.2 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.639 -1.288 . . . . 0.0 110.177 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -55.4 35.65 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.168 -0.958 . . . . 0.0 112.578 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.52 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 36.9 t-80 -81.87 -32.93 30.82 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.062 -1.024 . . . . 0.0 111.05 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.498 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 71.0 m -59.95 -34.32 73.11 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -177.103 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.45 15.75 14.86 Favored Glycine 0 N--CA 1.514 3.844 0 CA-C-N 120.431 1.468 . . . . 0.0 112.404 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.37 11.53 7.47 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-N 119.099 1.45 . . . . 0.0 109.219 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 18' ' ' HIS . 67.5 tt0 -161.48 27.86 0.13 Allowed 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.31 26.86 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 118.919 -1.61 . . . . 0.0 111.465 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.0 t0 -58.14 144.17 41.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.88 -0.777 . . . . 0.0 109.125 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 63.0 tttp -55.07 -50.02 70.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.913 . . . . 0.0 112.465 -177.092 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -118.66 24.02 11.13 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.619 -1.301 . . . . 0.0 111.485 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 24' ' ' ASP . 2.9 mtpm? -133.81 142.71 47.98 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.876 -1.14 . . . . 0.0 109.681 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.498 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 1.9 tp -92.34 108.62 20.1 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.497 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.5 m -72.71 158.27 35.93 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 119.982 -1.699 . . . . 0.0 108.703 178.237 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' SER . 17.5 tptm -42.52 -33.16 0.64 Allowed 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.163 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -84.14 -25.52 29.59 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.281 -1.512 . . . . 0.0 109.911 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' SER . 51.0 mt-10 -69.99 -40.54 75.27 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.651 -1.281 . . . . 0.0 109.856 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.8 pp -65.73 -40.21 91.93 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.923 -1.11 . . . . 0.0 109.267 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 33' ' ' LEU . 73.8 tttt -64.35 -43.4 94.67 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.12 -37.69 64.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.987 -1.071 . . . . 0.0 110.839 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' A' ' 15' ' ' PHE . 51.4 tp -60.0 -50.0 75.45 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -72.0 -40.04 68.79 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.864 0.84 . . . . 0.0 112.249 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -70.01 -42.12 73.43 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.783 0.801 . . . . 0.0 112.205 -177.188 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.0 m -60.03 -47.36 86.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.638 -0.664 . . . . 0.0 112.137 -175.415 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -99.98 -20.04 16.28 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.754 -1.216 . . . . 0.0 112.141 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -128.03 48.76 2.23 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.981 -1.074 . . . . 0.0 109.307 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.533 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 14.5 t -61.16 -40.9 95.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.521 -0.737 . . . . 0.0 110.505 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 m -79.13 -41.23 29.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.237 -0.914 . . . . 0.0 112.249 -177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.727 ' O ' ' O ' ' A' ' 45' ' ' LEU . 38.6 t80 -82.34 -105.48 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.527 -1.358 . . . . 0.0 110.733 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.727 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -9.49 147.81 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.263 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.301 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 21.0 p-10 -91.31 124.85 35.82 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 124.706 3.412 . . . . 0.0 110.552 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -154.68 -90.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.799 -1.188 . . . . 0.0 110.204 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -60.6 -44.41 96.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.348 -0.845 . . . . 0.0 112.035 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HZ3' ' H ' ' A' ' 49' ' ' LYS . 11.0 mtmm -58.63 -17.58 23.31 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -152.47 90.36 1.49 Allowed 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.28 82.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.278 -0.889 . . . . 0.0 109.372 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.99 -38.9 73.7 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -59.99 -40.07 87.93 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.756 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -36.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.403 -1.436 . . . . 0.0 108.794 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.13 -39.92 90.25 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.599 -0.688 . . . . 0.0 110.669 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -64.86 -39.89 94.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.174 -0.954 . . . . 0.0 109.962 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.416 HD11 ' OD2' ' A' ' 46' ' ' ASP . 22.7 mt -69.46 -52.79 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.642 -0.661 . . . . 0.0 111.255 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.497 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -61.24 -35.62 77.75 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.418 -0.801 . . . . 0.0 110.213 -179.077 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -59.95 -47.36 86.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -58.49 -22.38 54.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 63' ' ' GLU . 34.1 mt -94.75 -25.43 16.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.61 -0.681 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.497 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 80.1 m-20 -73.2 47.45 0.21 Allowed 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.8 mm-40 -60.0 -40.78 90.38 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.423 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -77.65 -21.77 51.68 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.93 38.89 25.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 107.408 -2.277 . . . . 0.0 107.408 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 37.2 p-10 -94.48 -11.13 30.28 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 121.454 -1.027 . . . . 0.0 111.756 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.9 76.61 Favored Glycine 0 N--CA 1.504 3.214 0 O-C-N 120.941 -1.099 . . . . 0.0 110.795 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 36.8 mp0 -140.69 172.88 12.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.469 -1.607 . . . . 0.0 108.581 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 61' ' ' LEU . 11.0 t -111.99 129.43 67.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -95.61 150.88 19.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 108.524 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 29.4 t80 -45.15 -32.41 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.134 -0.979 . . . . 0.0 110.432 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.0 mt-30 -72.85 -25.62 61.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.648 -1.282 . . . . 0.0 108.704 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASP . 85.0 mt-10 -84.59 -40.0 18.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 121.679 0.752 . . . . 0.0 110.293 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.6 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 20.6 t80 -69.07 -46.84 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.602 -0.686 . . . . 0.0 111.188 -177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.713 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.4 t -60.03 -39.84 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.194 -0.941 . . . . 0.0 109.218 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.9 t -58.03 -37.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.863 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 81' ' ' LEU . 3.4 tm? -69.78 -55.7 9.14 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.205 -0.935 . . . . 0.0 112.994 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 82' ' ' THR . 33.3 m -55.88 -34.57 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 O-C-N 120.313 -1.492 . . . . 0.0 109.587 -178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.728 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -68.25 -38.4 81.77 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.67 -25.05 49.24 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 77' ' ' LEU . 25.0 mt -85.99 -41.35 14.94 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.747 -1.846 . . . . 0.0 109.765 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.0 t -56.54 -43.08 79.52 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.526 -1.359 . . . . 0.0 109.582 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 82' ' ' THR . 16.0 m -60.04 -40.07 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 109.349 177.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.465 ' HB3' ' CZ3' ' X' ' 7' ' ' TRP . . . -61.06 -26.97 68.01 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.02 -39.91 75.53 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.571 -0.706 . . . . 0.0 109.726 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.12 -40.97 91.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.0 109.061 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -61.51 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.399 -0.813 . . . . 0.0 109.5 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CE1' HD12 ' X' ' 10' ' ' ILE . 3.0 m-85 -88.18 -0.34 56.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.391 -0.818 . . . . 0.0 109.879 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -84.62 -36.45 21.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.928 -1.108 . . . . 0.0 109.28 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.399 -0.813 . . . . 0.0 111.207 -178.78 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.126 0.489 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 33.2 mp0 -59.98 -40.03 87.74 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.067 -1.02 . . . . 0.0 110.202 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -43.82 98.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.313 -1.492 . . . . 0.0 109.174 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -36.88 78.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.087 -1.008 . . . . 0.0 108.768 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.499 ' O ' ' OG1' ' B' ' 10' ' ' THR . 18.9 m -55.75 -50.06 71.43 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.653 0.74 . . . . 0.0 110.426 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.04 72.08 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 112.829 0.678 . . . . 0.0 112.829 -177.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.3 -47.29 61.83 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.641 -1.287 . . . . 0.0 110.086 -178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.0 -25.24 63.51 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.719 -0.613 . . . . 0.0 110.495 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -68.65 -57.76 5.23 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.362 -0.836 . . . . 0.0 109.967 -178.589 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.593 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 8.1 mp -52.83 -40.05 63.0 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.166 -1.584 . . . . 0.0 109.003 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.1 -39.98 85.91 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 120.956 -1.09 . . . . 0.0 112.284 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -82.21 -48.59 11.09 Favored 'General case' 0 N--CA 1.511 2.604 0 O-C-N 119.987 -1.696 . . . . 0.0 113.54 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.02 -38.4 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.475 -1.391 . . . . 0.0 108.04 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.758 ' CD1' HD21 ' B' ' 36' ' ' LEU . 15.5 m-30 -59.98 -37.52 79.87 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.62 -32.72 74.22 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.712 -1.243 . . . . 0.0 110.186 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -55.3 36.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.063 -1.023 . . . . 0.0 112.599 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' B' ' 22' ' ' GLU . 36.3 t-80 -81.72 -33.03 31.32 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.038 -1.039 . . . . 0.0 111.139 -178.584 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 67.2 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.73 15.93 14.07 Favored Glycine 0 N--CA 1.514 3.851 0 O-C-N 120.364 -1.46 . . . . 0.0 112.393 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.16 11.11 7.56 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 119.053 1.427 . . . . 0.0 109.245 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 22' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' B' ' 18' ' ' HIS . 67.2 tt0 -161.21 27.9 0.14 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.15 26.57 Favored Glycine 0 N--CA 1.482 1.748 0 C-N-CA 118.879 -1.629 . . . . 0.0 111.451 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' ASP . . . . . 0.546 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 52.8 t0 -58.16 144.21 41.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.895 -0.768 . . . . 0.0 109.198 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 63.5 tttp -55.19 -49.92 70.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 0.0 112.516 -177.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -118.5 23.79 11.3 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 120.539 -1.351 . . . . 0.0 111.516 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.546 ' NZ ' ' OD2' ' B' ' 24' ' ' ASP . 2.9 mtpm? -133.71 142.55 48.04 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.871 -1.143 . . . . 0.0 109.678 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.497 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 1.9 tp -91.9 108.75 20.15 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 32' ' ' GLU . 13.9 m -72.88 158.36 35.67 Favored 'General case' 0 C--N 1.29 -1.988 0 O-C-N 119.934 -1.729 . . . . 0.0 108.671 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' B' ' 29' ' ' SER . 17.3 tptm -42.42 -33.21 0.63 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.438 -0.789 . . . . 0.0 110.137 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -84.18 -25.63 29.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.357 -1.464 . . . . 0.0 109.982 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' SER . 51.1 mt-10 -69.99 -40.41 75.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.717 -1.24 . . . . 0.0 109.811 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.428 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.6 pp -65.44 -40.34 93.15 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.834 -1.166 . . . . 0.0 109.283 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.428 ' N ' HD12 ' B' ' 33' ' ' LEU . 74.4 tttt -64.41 -43.38 94.57 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -176.507 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -73.91 -37.97 64.48 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.154 -0.966 . . . . 0.0 110.782 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' B' ' 15' ' ' PHE . 49.8 tp -59.9 -50.02 75.4 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.331 -0.856 . . . . 0.0 109.475 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.03 -40.03 68.71 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.923 0.868 . . . . 0.0 112.211 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -70.07 -42.04 73.33 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.76 0.791 . . . . 0.0 112.26 -177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.99 -47.48 85.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.679 -0.638 . . . . 0.0 112.128 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 33.7 mm-40 -99.85 -19.98 16.4 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.785 -1.197 . . . . 0.0 112.074 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -128.15 48.69 2.25 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.979 -1.076 . . . . 0.0 109.321 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.524 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 15.1 t -61.06 -41.03 95.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.6 -0.687 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -79.0 -40.83 30.47 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.213 -0.929 . . . . 0.0 112.266 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' B' ' 45' ' ' LEU . 38.3 t80 -83.55 -92.41 0.07 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.557 -1.339 . . . . 0.0 112.134 -178.091 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.639 HD11 HD13 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -32.47 153.71 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -174.856 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 20.6 p-10 -90.52 123.88 34.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.502 -2.624 . . . . 0.0 110.241 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -154.68 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.969 -1.082 . . . . 0.0 109.984 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.61 -44.6 96.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 112.021 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 10.3 mtmm -58.72 -17.66 24.76 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.2 90.47 1.52 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.43 82.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.864 . . . . 0.0 109.299 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.89 -38.63 73.06 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.06 91.32 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.506 -177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -36.57 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.456 -1.403 . . . . 0.0 108.769 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.16 -40.03 90.24 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.497 -0.752 . . . . 0.0 110.711 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.159 -0.963 . . . . 0.0 109.881 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.418 HD11 ' OD2' ' B' ' 46' ' ' ASP . 23.6 mt -69.35 -52.68 30.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.662 -0.649 . . . . 0.0 111.386 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.494 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -61.33 -35.68 78.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.371 -0.831 . . . . 0.0 110.225 -179.088 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -59.97 -47.5 85.54 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -58.71 -20.73 51.41 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' B' ' 63' ' ' GLU . 34.4 mt -96.17 -25.7 15.74 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.619 -0.675 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.494 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 80.9 m-20 -73.18 47.41 0.2 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.8 mm-40 -59.99 -40.62 89.76 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.463 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -77.76 -21.64 51.46 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.95 38.71 26.08 Favored Glycine 0 N--CA 1.484 1.862 0 N-CA-C 107.426 -2.27 . . . . 0.0 107.426 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.444 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 36.8 p-10 -94.39 -11.32 30.13 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 121.449 -1.03 . . . . 0.0 111.819 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.86 1.78 76.21 Favored Glycine 0 N--CA 1.503 3.116 0 O-C-N 120.862 -1.149 . . . . 0.0 110.774 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 37.1 mp0 -140.65 173.01 11.91 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.344 -1.68 . . . . 0.0 108.451 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.433 ' CG1' HD13 ' B' ' 61' ' ' LEU . 11.0 t -112.02 129.56 67.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 73' ' ' GLU . 95.8 m-20 -95.76 151.03 19.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.153 -0.967 . . . . 0.0 108.433 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 28.9 t80 -45.27 -32.34 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.132 -0.98 . . . . 0.0 110.517 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.448 ' O ' HG23 ' B' ' 76' ' ' VAL . 18.7 mt-30 -72.93 -25.4 61.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.641 -1.287 . . . . 0.0 108.723 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.8 mt-10 -84.72 -40.01 17.83 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.658 0.742 . . . . 0.0 110.248 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.605 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 20.8 t80 -69.09 -46.89 66.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.709 -0.619 . . . . 0.0 111.203 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.728 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.6 t -59.92 -39.87 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.259 -0.9 . . . . 0.0 109.262 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.5 t -58.0 -37.29 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.855 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.817 HD11 HD12 ' B' ' 81' ' ' LEU . 3.4 tm? -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.219 -0.925 . . . . 0.0 113.004 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 79' ' ' ALA . 33.9 m -55.77 -34.69 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 120.331 -1.481 . . . . 0.0 109.528 -178.653 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.713 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -67.97 -38.71 83.06 Favored 'General case' 0 C--N 1.29 -1.999 0 O-C-N 121.592 -0.692 . . . . 0.0 109.372 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.448 ' O ' HD21 ' Y' ' 11' ' ' LEU . . . -77.51 -24.93 49.92 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.817 HD12 HD11 ' B' ' 77' ' ' LEU . 21.2 mt -85.97 -41.48 14.85 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.772 -1.83 . . . . 0.0 109.823 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.478 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.1 t -56.36 -43.19 78.91 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.541 178.22 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.478 ' N ' HG23 ' B' ' 82' ' ' THR . 16.0 m -60.01 -40.09 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.043 -1.036 . . . . 0.0 109.373 178.042 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.457 ' HB3' ' CZ3' ' Y' ' 7' ' ' TRP . . . -60.95 -26.96 67.89 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.05 -39.82 75.49 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.553 -0.717 . . . . 0.0 109.639 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.03 -41.1 91.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 109.076 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -61.36 -40.02 92.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 109.558 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 88' ' ' PHE . . . . . 0.507 ' CE1' HD12 ' Y' ' 10' ' ' ILE . 3.0 m-30 -88.12 -0.34 56.95 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.349 -0.845 . . . . 0.0 109.893 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -84.61 -36.51 21.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.983 -1.073 . . . . 0.0 109.345 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.398 -0.814 . . . . 0.0 111.273 -178.783 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 92.6 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -150.02 162.94 39.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.248 -0.908 . . . . 0.0 109.505 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 34.5 p -89.62 114.41 26.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.274 -0.892 . . . . 0.0 109.852 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -60.05 -41.06 91.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.617 -0.677 . . . . 0.0 110.163 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.23 111.23 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.224 -0.923 . . . . 0.0 108.832 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -130.05 19.63 5.44 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.711 ' O ' HG22 ' X' ' 10' ' ' ILE . 43.8 t90 -60.0 -48.78 80.3 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.239 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.588 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 1.3 t-20 -50.14 -31.52 13.7 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 119.716 -1.865 . . . . 0.0 109.035 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.9 -27.19 68.63 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.711 HG22 ' O ' ' X' ' 7' ' ' TRP . 6.0 tt -48.55 -40.01 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 44.9 tp -69.97 -40.01 75.62 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.952 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.177 -0.952 . . . . 0.0 109.492 -179.739 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . 0.437 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 57.6 m . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -61.22 -39.05 88.79 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 81.3 p -61.27 -9.87 5.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.494 -0.754 . . . . 0.0 109.76 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' Y' ' 1' ' ' THR . 65.5 mttm -135.85 158.6 44.0 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.405 -0.809 . . . . 0.0 109.612 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 26.6 pt -112.01 127.8 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 CA-C-O 121.904 0.859 . . . . 0.0 110.531 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -111.29 21.01 16.76 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.405 -0.809 . . . . 0.0 109.158 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.73 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.7 t90 -59.96 -50.01 75.42 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.844 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.55 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 2.9 p-10 -50.27 -33.35 19.5 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 119.716 -1.865 . . . . 0.0 109.064 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -59.19 -24.88 63.49 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.73 HG22 ' O ' ' Y' ' 7' ' ' TRP . 4.1 tt -53.41 -35.21 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.32 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.45 HD12 ' OE2' ' B' ' 60' ' ' GLU . 0.1 OUTLIER -65.43 -40.1 92.91 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.228 179.705 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.989 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -76.83 159.28 30.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -1.134 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -47.19 -49.77 22.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.14 -0.975 . . . . 0.0 110.583 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.66 -45.21 72.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.917 -1.114 . . . . 0.0 110.347 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.95 -39.64 86.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.006 -1.059 . . . . 0.0 108.866 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 58.1 m -48.95 -50.37 35.86 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.884 0.85 . . . . 0.0 110.069 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.76 -27.7 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.63 -49.55 52.76 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.348 -1.47 . . . . 0.0 110.255 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -68.44 -29.02 67.58 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.775 -0.578 . . . . 0.0 110.71 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -63.25 -57.24 11.11 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.878 -1.139 . . . . 0.0 110.22 -178.852 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.496 ' N ' HD12 ' A' ' 11' ' ' LEU . 10.1 mp -55.67 -40.11 71.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.251 -1.531 . . . . 0.0 110.254 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.22 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 O-C-N 120.932 -1.105 . . . . 0.0 112.263 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -80.62 -41.77 23.32 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 119.895 -1.753 . . . . 0.0 112.139 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.9 p -60.23 -41.75 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.574 -1.329 . . . . 0.0 108.65 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.463 ' N ' HG13 ' A' ' 14' ' ' VAL . 4.1 t80 -60.0 -39.35 85.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.917 -1.114 . . . . 0.0 109.872 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.26 27.72 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.302 -0.874 . . . . 0.0 112.905 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -78.88 -42.17 27.94 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.692 -1.255 . . . . 0.0 111.654 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.53 7.73 59.82 Favored Glycine 0 N--CA 1.501 2.967 0 O-C-N 120.521 -1.362 . . . . 0.0 112.595 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.41 -59.28 1.84 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.262 1.531 . . . . 0.0 109.702 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.22 16.98 7.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 111.118 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -164.7 -161.54 13.9 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 118.222 -1.942 . . . . 0.0 112.429 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.6 m-20 -59.89 143.57 51.06 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -51.89 -51.2 58.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.635 -0.665 . . . . 0.0 111.113 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.562 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 54.0 t80 -113.19 17.71 18.47 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.624 -1.298 . . . . 0.0 111.845 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -137.68 146.44 43.83 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.437 -1.415 . . . . 0.0 109.928 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.5 tp -92.81 165.98 12.65 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.052 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.538 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 58.0 m -131.75 164.34 26.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.226 -0.921 . . . . 0.0 109.664 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.27 -39.98 23.34 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.039 -1.038 . . . . 0.0 111.124 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.64 -31.25 36.52 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 119.912 -1.742 . . . . 0.0 110.563 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.538 ' HB2' ' H ' ' A' ' 29' ' ' SER . 71.7 mt-10 -70.07 -38.38 75.72 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.396 -1.44 . . . . 0.0 110.855 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.6 pp -63.04 -45.18 93.48 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.452 -1.405 . . . . 0.0 109.813 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' N ' HD12 ' A' ' 33' ' ' LEU . 60.1 tttm -59.93 -38.95 83.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.13 -0.981 . . . . 0.0 111.24 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.405 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 87.7 m-20 -71.77 -42.84 66.69 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.291 -0.881 . . . . 0.0 111.635 -177.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.96 -49.91 72.87 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.56 0.695 . . . . 0.0 110.757 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.715 HD12 HD22 ' A' ' 45' ' ' LEU . 4.2 mm? -70.51 -42.53 71.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.507 -0.745 . . . . 0.0 112.375 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.485 ' CG ' ' N ' ' A' ' 39' ' ' THR . 15.1 pt20 -69.67 -41.68 75.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.938 -1.101 . . . . 0.0 112.708 -176.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -50.95 -48.76 60.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.48 -0.762 . . . . 0.0 111.244 -175.446 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.99 -22.73 15.14 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.248 -0.907 . . . . 0.0 111.269 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD13 HD13 ' A' ' 45' ' ' LEU . 89.8 mt -120.0 31.15 6.65 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -49.94 -61.61 2.04 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.507 0.67 . . . . 0.0 109.623 179.273 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.7 p -69.9 -21.19 63.33 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.655 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -87.91 -103.87 0.08 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.202 -1.561 . . . . 0.0 110.151 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 HD12 ' A' ' 37' ' ' LEU . 2.1 mp -15.42 153.52 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.592 175.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.588 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 0.5 OUTLIER -93.43 99.66 12.11 Favored 'General case' 0 N--CA 1.516 2.832 0 CA-C-N 123.937 3.062 . . . . 0.0 109.268 173.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 48' ' ' GLN . 45.9 t -128.39 -79.69 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.702 0 O-C-N 120.677 -1.264 . . . . 0.0 108.888 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.424 ' N ' HG12 ' A' ' 47' ' ' VAL . 38.4 mt-30 -61.81 -39.89 93.32 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.693 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' CE ' ' O ' ' A' ' 42' ' ' SER . 2.3 mmtt -65.91 -18.27 65.22 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -146.53 88.65 1.79 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.17 64.54 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -60.2 -39.82 87.92 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.94 81.07 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.23 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -39.83 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.585 -1.322 . . . . 0.0 108.605 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -63.17 -40.08 96.5 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.737 -0.602 . . . . 0.0 111.073 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.21 -39.94 94.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 108.553 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.455 HD12 HD21 ' A' ' 77' ' ' LEU . 17.8 mm -63.54 -46.5 94.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.638 -0.664 . . . . 0.0 110.512 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.4 mmm -59.48 -39.73 84.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.949 -1.094 . . . . 0.0 109.252 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -46.78 88.4 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.29 -31.74 72.97 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.515 -0.74 . . . . 0.0 109.182 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 63' ' ' GLU . 40.2 mt -93.59 -17.15 23.63 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.325 -0.859 . . . . 0.0 110.665 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' MET . 96.0 m-20 -77.49 42.92 0.37 Allowed 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.6 mt-10 -60.03 -41.05 91.37 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.938 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -74.78 -18.98 60.39 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.62 33.61 63.54 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 107.814 -2.114 . . . . 0.0 107.814 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -93.47 -8.3 41.96 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.514 -0.992 . . . . 0.0 112.101 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 11.34 80.85 Favored Glycine 0 N--CA 1.503 3.149 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -133.13 173.28 11.6 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 5.6 t -128.53 126.99 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.738 -1.227 . . . . 0.0 108.777 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -93.14 155.04 17.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 108.928 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.88 -21.88 4.81 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.437 -0.79 . . . . 0.0 109.672 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.1 tm0? -78.29 -23.78 47.01 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.163 0.982 . . . . 0.0 108.417 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -85.36 -49.18 8.34 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.861 0.838 . . . . 0.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.527 ' CE1' HD21 ' A' ' 37' ' ' LEU . 10.2 t80 -60.12 -49.68 76.67 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.218 0.532 . . . . 0.0 111.177 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -38.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.178 -0.951 . . . . 0.0 109.573 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.5 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.962 -1.086 . . . . 0.0 109.166 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.455 HD21 HD12 ' A' ' 57' ' ' ILE . 1.5 tm? -63.84 -56.38 15.82 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.642 -0.661 . . . . 0.0 112.694 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.498 ' O ' HG22 ' A' ' 82' ' ' THR . 27.7 m -59.91 -36.57 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.662 -1.274 . . . . 0.0 109.928 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -64.07 -41.35 97.37 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 121.555 0.693 . . . . 0.0 111.305 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.31 -24.01 46.85 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.988 HD12 ' N ' ' A' ' 82' ' ' THR . 3.9 pp -81.6 -45.26 16.08 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 119.459 -2.026 . . . . 0.0 109.659 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.988 ' N ' HD12 ' A' ' 81' ' ' LEU . 1.8 t -52.89 -45.6 67.59 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.134 -0.979 . . . . 0.0 110.181 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 12.2 m -56.65 -40.83 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.945 -1.097 . . . . 0.0 109.055 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.07 -26.58 68.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.476 -0.765 . . . . 0.0 109.034 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.61 -42.54 70.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.16 -0.962 . . . . 0.0 110.035 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.76 -41.95 98.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 0.0 110.316 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -66.94 -39.83 87.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.269 -0.894 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -80.45 -11.04 59.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -78.87 -30.29 44.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.197 -0.939 . . . . 0.0 109.02 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -84.41 -11.08 56.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.484 -0.76 . . . . 0.0 110.246 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -60.93 -40.01 91.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.053 -1.029 . . . . 0.0 109.777 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -100.74 0.02 38.09 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.305 -0.872 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.752 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.967 0 N-CA-C 119.607 2.603 . . . . 0.0 119.607 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -77.0 158.87 30.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -1.128 . . . . 0.0 109.272 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -46.96 -49.99 19.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.067 -1.021 . . . . 0.0 110.562 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.49 -44.99 73.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.907 -1.121 . . . . 0.0 110.401 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.62 -39.11 87.01 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.014 -1.054 . . . . 0.0 108.833 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.458 ' O ' ' OG1' ' B' ' 10' ' ' THR . 61.7 m -49.29 -50.34 39.68 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.903 0.859 . . . . 0.0 110.045 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.78 -27.35 65.81 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.79 -49.36 53.6 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.449 -1.407 . . . . 0.0 110.214 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.69 -29.08 67.45 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.712 -0.617 . . . . 0.0 110.667 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.1 OUTLIER -63.07 -57.3 11.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.134 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' HD12 ' B' ' 11' ' ' LEU . 10.1 mp -55.65 -39.91 71.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.233 -1.542 . . . . 0.0 110.192 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.47 -39.96 87.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.49 -42.17 23.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 119.959 -1.713 . . . . 0.0 112.128 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.472 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.9 p -60.01 -41.61 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.591 -1.318 . . . . 0.0 108.578 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.472 ' N ' HG13 ' B' ' 14' ' ' VAL . 5.0 t80 -59.93 -39.68 86.29 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -59.96 -40.09 87.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.975 -1.078 . . . . 0.0 109.834 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.2 -55.51 23.76 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.301 -0.874 . . . . 0.0 112.973 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -78.84 -42.63 27.07 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.828 -1.17 . . . . 0.0 111.724 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 24' ' ' ASP . 4.3 t -63.72 -31.7 72.96 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -178.198 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.52 7.64 59.79 Favored Glycine 0 N--CA 1.502 3.071 0 O-C-N 120.486 -1.384 . . . . 0.0 112.695 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.48 -58.98 1.87 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.335 1.568 . . . . 0.0 109.71 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.46 17.06 7.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.07 -1.019 . . . . 0.0 111.235 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.511 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -164.66 -161.52 13.83 Favored Glycine 0 N--CA 1.493 2.434 0 C-N-CA 118.299 -1.905 . . . . 0.0 112.352 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.5 m-20 -60.02 143.65 51.36 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.686 0.755 . . . . 0.0 110.227 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -51.89 -51.26 58.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.658 -0.651 . . . . 0.0 111.2 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -113.05 17.51 18.75 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.633 -1.292 . . . . 0.0 111.817 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -137.73 146.34 43.58 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.393 -1.442 . . . . 0.0 110.001 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' B' ' 15' ' ' PHE . 7.5 tp -92.61 166.24 12.59 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.074 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.545 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 63.1 m -132.07 164.57 25.95 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.244 -0.91 . . . . 0.0 109.698 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.38 -39.96 24.05 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.111 -0.993 . . . . 0.0 111.221 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -80.82 -31.26 35.66 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 119.875 -1.766 . . . . 0.0 110.517 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.545 ' HB2' ' H ' ' B' ' 29' ' ' SER . 71.6 mt-10 -70.01 -38.67 75.99 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.348 -1.47 . . . . 0.0 110.757 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.513 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.5 pp -62.57 -45.27 93.68 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.469 -1.394 . . . . 0.0 109.675 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.513 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.6 tttm -60.37 -38.56 84.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 111.231 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.403 ' HA ' ' NE2' ' B' ' 38' ' ' GLN . 87.7 m-20 -72.01 -42.51 66.31 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.313 -0.867 . . . . 0.0 111.444 -177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.13 -49.97 72.31 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.616 0.722 . . . . 0.0 110.583 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.689 HD12 HD22 ' B' ' 45' ' ' LEU . 4.3 mm? -70.47 -42.86 70.88 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.519 -0.738 . . . . 0.0 112.365 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.479 ' CG ' ' N ' ' B' ' 39' ' ' THR . 14.7 pt20 -69.33 -41.49 76.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.985 -1.072 . . . . 0.0 112.782 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -51.22 -48.69 62.0 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.436 -0.79 . . . . 0.0 111.277 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.97 -22.59 15.21 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.196 -0.94 . . . . 0.0 111.257 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.407 HD13 HD13 ' B' ' 45' ' ' LEU . 90.5 mt -120.08 31.1 6.66 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.475 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -50.03 -61.27 2.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.522 0.677 . . . . 0.0 109.563 179.399 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -70.32 -20.23 63.02 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.434 ' C ' ' CD1' ' B' ' 44' ' ' PHE . 1.8 t80 -89.71 -89.7 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.254 -1.529 . . . . 0.0 111.95 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.697 HD11 HD22 ' B' ' 81' ' ' LEU . 1.4 mp -39.68 160.04 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' Y' ' 7' ' ' TRP . 0.5 OUTLIER -92.63 98.87 11.7 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 121.944 2.157 . . . . 0.0 109.094 177.286 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.45 -79.11 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 O-C-N 121.061 -1.024 . . . . 0.0 108.863 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.21 -39.95 94.47 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.7 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' O ' ' B' ' 42' ' ' SER . 2.1 mmtt -65.75 -18.39 65.3 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -146.44 88.59 1.79 Allowed 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -32.02 64.57 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.26 -39.78 87.98 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -41.02 81.79 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.926 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -39.53 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.476 -1.39 . . . . 0.0 108.889 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -63.14 -39.88 95.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.721 -0.612 . . . . 0.0 111.041 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.26 -40.14 95.2 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.887 -1.133 . . . . 0.0 108.628 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.476 HD12 HD21 ' B' ' 77' ' ' LEU . 19.9 mm -63.57 -46.05 96.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.576 -0.703 . . . . 0.0 110.487 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.579 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.3 mmm -59.72 -39.79 85.85 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.966 -1.084 . . . . 0.0 109.298 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -46.66 88.81 Favored 'General case' 0 C--N 1.279 -2.48 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.45 ' OE2' HD12 ' Y' ' 11' ' ' LEU . 89.3 tt0 -64.34 -29.5 70.57 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.64 -0.662 . . . . 0.0 109.496 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' B' ' 63' ' ' GLU . 38.5 mt -95.11 -17.43 21.83 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 58' ' ' MET . 95.9 m-20 -77.28 42.73 0.35 Allowed 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.11 -40.78 90.89 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.369 -0.932 . . . . 0.0 108.987 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -75.24 -18.96 59.99 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.42 63.1 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 107.686 -2.165 . . . . 0.0 107.686 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -93.25 -8.52 42.01 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.637 -0.92 . . . . 0.0 112.012 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.04 11.33 81.5 Favored Glycine 0 N--CA 1.501 2.971 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -133.22 173.6 11.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.452 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 5.1 t -128.57 127.12 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.737 -1.227 . . . . 0.0 108.806 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -93.61 154.67 17.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.307 -0.871 . . . . 0.0 108.967 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -52.51 -22.12 4.52 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.544 -0.723 . . . . 0.0 109.617 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.54 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.1 tm0? -78.17 -23.71 47.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.154 0.978 . . . . 0.0 108.513 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -85.59 -49.01 8.36 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.833 0.825 . . . . 0.0 109.228 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' B' ' 37' ' ' LEU . 11.1 t80 -60.16 -49.64 76.84 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.256 0.551 . . . . 0.0 111.065 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.408 HG12 ' HB1' ' A' ' 79' ' ' ALA . 52.2 t -60.04 -38.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.5 t -60.25 -39.87 82.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.117 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.476 HD21 HD12 ' B' ' 57' ' ' ILE . 1.5 tm? -63.62 -56.4 16.1 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 121.571 -0.705 . . . . 0.0 112.747 -177.602 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.493 ' O ' HG22 ' B' ' 82' ' ' THR . 35.5 m -60.04 -36.02 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.643 -1.285 . . . . 0.0 109.878 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.408 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -64.53 -41.54 96.3 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-O 121.527 0.68 . . . . 0.0 111.293 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.455 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.27 -23.77 47.11 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.995 HD12 ' N ' ' B' ' 82' ' ' THR . 4.1 pp -82.14 -44.23 16.73 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 119.417 -2.052 . . . . 0.0 109.721 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.995 ' N ' HD12 ' B' ' 81' ' ' LEU . 1.9 t -54.03 -45.09 71.5 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.018 -1.051 . . . . 0.0 110.007 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 13.6 m -57.01 -40.57 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.029 -1.044 . . . . 0.0 109.125 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.432 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.27 -26.72 68.62 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.57 -42.65 70.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.173 -0.954 . . . . 0.0 110.084 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.52 -42.18 98.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.264 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.68 -40.04 88.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.239 -0.913 . . . . 0.0 110.718 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.31 -10.97 59.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.751 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -79.08 -29.97 43.68 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.188 -0.945 . . . . 0.0 108.899 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -84.55 -11.16 56.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.751 . . . . 0.0 110.182 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -60.71 -40.42 92.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.969 -1.082 . . . . 0.0 109.773 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -100.34 -0.12 38.95 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.284 -0.885 . . . . 0.0 109.357 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.797 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -59.92 -48.02 83.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.208 -0.933 . . . . 0.0 109.594 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' X' X ' 3' ' ' THR . . . . . 0.544 HG23 ' O ' ' X' ' 3' ' ' THR . 5.0 t -174.08 112.41 0.18 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.295 -0.878 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' X' ' 3' ' ' THR . 0.0 OUTLIER 51.91 106.04 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.28 -0.888 . . . . 0.0 110.078 179.304 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' X' ' 7' ' ' TRP . 10.7 pt -60.01 -40.02 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.147 -0.97 . . . . 0.0 109.555 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.443 ' OD1' ' OD2' ' A' ' 50' ' ' ASP . 32.6 m-20 43.44 19.71 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.196 -0.94 . . . . 0.0 110.327 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.68 ' CZ3' HD22 ' A' ' 81' ' ' LEU . 39.4 t90 -60.17 -49.97 75.51 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.156 0.979 . . . . 0.0 110.079 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.795 ' ND2' HD11 ' A' ' 81' ' ' LEU . 12.6 t-20 -54.24 -30.17 49.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.595 -1.315 . . . . 0.0 108.959 -179.614 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.626 ' NZ ' ' NZ ' ' A' ' 56' ' ' LYS . 10.1 ttmm -59.93 -25.08 64.87 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.662 HG22 ' O ' ' X' ' 7' ' ' TRP . 5.5 tt -54.94 -39.37 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.423 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 55.6 tp -66.18 -41.45 90.27 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.296 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.4 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 12.2 t . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.407 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.364 0.602 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -69.97 -26.87 64.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.414 -0.804 . . . . 0.0 110.234 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 6.9 p -114.86 135.32 54.32 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.373 -0.83 . . . . 0.0 109.797 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.497 ' HD2' ' H ' ' Y' ' 4' ' ' LYS . 0.0 OUTLIER -84.8 160.46 20.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 109.08 179.734 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.508 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.2 pt -95.43 127.25 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.18 18.35 21.8 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.225 -0.922 . . . . 0.0 108.69 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.671 ' O ' HG22 ' Y' ' 10' ' ' ILE . 41.0 t90 -60.02 -50.07 75.18 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.598 -0.689 . . . . 0.0 111.838 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.679 ' ND2' HD21 ' B' ' 81' ' ' LEU . 0.3 OUTLIER -54.53 -33.14 59.48 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 119.597 -1.94 . . . . 0.0 109.158 -178.814 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.97 -24.29 64.3 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.671 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -51.3 -37.33 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.412 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 58.3 tp -64.16 -40.17 95.57 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.378 179.594 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.571 2.588 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -76.72 156.6 32.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.209 -1.171 . . . . 0.0 109.42 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -42.37 -57.4 2.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.21 -41.06 90.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.03 -1.044 . . . . 0.0 110.004 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.47 -32.84 74.41 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.037 -1.039 . . . . 0.0 109.634 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.4 m -59.15 -47.99 83.25 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.927 0.87 . . . . 0.0 109.339 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.2 68.3 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.52 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 ttt -70.63 -48.43 55.08 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.452 -1.405 . . . . 0.0 110.44 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.96 -25.84 63.82 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.705 -0.622 . . . . 0.0 110.359 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -66.94 -57.95 5.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.953 -1.092 . . . . 0.0 109.765 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.9 mp -54.2 -39.98 67.18 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.222 -1.549 . . . . 0.0 110.294 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.84 -40.02 82.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.038 -1.039 . . . . 0.0 112.63 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -80.66 -42.65 21.7 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 119.891 -1.755 . . . . 0.0 112.304 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.7 p -59.9 -40.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.701 -1.249 . . . . 0.0 108.4 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 28' ' ' LEU . 9.1 t80 -60.48 -39.62 88.33 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.897 -1.127 . . . . 0.0 110.599 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.34 23.03 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -78.66 -45.15 22.08 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.973 -1.08 . . . . 0.0 110.694 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 61.3 p -60.04 -26.58 66.23 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.741 -0.599 . . . . 0.0 112.515 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 3.96 57.39 Favored Glycine 0 N--CA 1.5 2.942 0 O-C-N 120.793 -1.192 . . . . 0.0 111.346 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 23' ' ' GLY . 67.2 mttm -124.22 -65.15 1.07 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.311 -1.111 . . . . 0.0 108.945 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.9 20.7 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.186 -0.946 . . . . 0.0 109.891 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 175.08 -174.29 46.68 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 118.721 -1.705 . . . . 0.0 112.317 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 36.8 t0 -39.29 152.34 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.556 0.693 . . . . 0.0 110.153 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 3.5 mptp? -52.08 -40.01 60.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.548 -0.72 . . . . 0.0 112.363 -176.608 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -135.89 35.99 2.85 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.309 -1.495 . . . . 0.0 112.348 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -140.37 147.02 39.16 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.653 -1.279 . . . . 0.0 109.493 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -94.28 162.38 13.87 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.067 0.937 . . . . 0.0 108.503 -179.71 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.575 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.7 t -130.66 161.04 32.51 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' SER . 55.7 tttt -47.08 -34.09 5.57 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 117.668 -1.613 . . . . 0.0 111.48 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -81.02 -30.05 35.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.195 -1.566 . . . . 0.0 110.545 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.575 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.7 mt-10 -73.59 -39.95 64.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.405 -1.434 . . . . 0.0 110.719 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.6 pp -59.94 -44.87 94.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.493 -1.38 . . . . 0.0 108.747 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.601 ' N ' HD12 ' A' ' 33' ' ' LEU . 83.6 tttt -63.6 -39.96 95.7 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.79 -0.569 . . . . 0.0 111.961 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.407 ' HA ' ' NE2' ' A' ' 38' ' ' GLN . 95.9 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.743 -1.223 . . . . 0.0 110.859 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.538 HD23 ' CE1' ' A' ' 74' ' ' PHE . 52.3 tp -63.49 -41.86 98.56 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.499 0.666 . . . . 0.0 110.842 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.42 HD21 ' CE1' ' A' ' 74' ' ' PHE . 89.5 mt -79.07 -46.85 17.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' THR . 16.8 pt20 -65.26 -39.9 93.23 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.915 0.865 . . . . 0.0 112.981 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.5 m -52.65 -45.25 66.64 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.836 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -101.61 -16.88 16.59 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.082 -1.011 . . . . 0.0 111.778 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 45' ' ' LEU . 43.2 mt -132.9 50.0 2.27 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.88 -1.138 . . . . 0.0 109.286 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 25.8 p -63.0 -49.83 73.14 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 110.699 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -68.39 -39.95 81.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.155 -0.965 . . . . 0.0 111.688 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.588 ' O ' ' C ' ' A' ' 45' ' ' LEU . 13.9 t80 -83.83 -106.18 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.588 ' C ' ' O ' ' A' ' 44' ' ' PHE . 3.8 mp -9.69 127.65 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.237 0 CA-C-O 114.906 -2.473 . . . . 0.0 109.774 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -91.13 117.1 29.34 Favored 'General case' 0 N--CA 1.525 3.3 1 CA-C-N 127.9 4.864 . . . . 0.0 110.067 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 48' ' ' GLN . 21.3 m -148.76 -40.19 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.77 -1.206 . . . . 0.0 110.129 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.478 ' N ' HG23 ' A' ' 47' ' ' VAL . 17.4 pt20 -94.43 -40.37 9.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.044 -1.035 . . . . 0.0 111.806 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.1 -52.38 65.57 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 178.362 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.443 ' OD2' ' OD1' ' X' ' 6' ' ' ASP . 81.5 m-20 -104.37 95.06 5.68 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.6 72.09 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' O ' ' OD1' ' A' ' 52' ' ' ASP . 50.8 t0 -59.91 -38.35 82.05 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.02 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.4 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.563 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -34.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.594 -1.316 . . . . 0.0 108.616 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 61.3 t0 -65.68 -40.01 91.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.977 -1.077 . . . . 0.0 110.496 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.626 ' NZ ' ' NZ ' ' X' ' 9' ' ' LYS . 4.8 mmmm -69.47 -42.96 74.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.202 -0.936 . . . . 0.0 110.557 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.42 HG12 ' ND2' ' X' ' 8' ' ' ASN . 1.3 mp -66.16 -55.76 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.9 ttt -59.9 -32.42 70.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.67 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -49.78 76.32 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.301 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -24.91 63.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.754 HD11 ' O ' ' A' ' 73' ' ' GLU . 5.5 tp -81.33 -15.82 54.22 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 55.3 t0 -90.75 65.08 5.77 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.44 -35.59 81.37 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.794 -0.566 . . . . 0.0 110.107 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.537 HD21 ' CG ' ' A' ' 66' ' ' ASP . 25.7 p-10 -71.54 -12.88 61.6 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.51 68.33 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.537 ' CG ' HD21 ' A' ' 64' ' ' ASN . 32.5 p-10 -93.71 -117.36 0.09 Allowed 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.535 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -158.76 26.8 0.39 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -133.14 173.93 10.91 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.16 129.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 120.593 -1.317 . . . . 0.0 109.011 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -96.03 149.86 21.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.82 -1.175 . . . . 0.0 108.289 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -45.32 -31.94 1.81 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.097 -1.002 . . . . 0.0 110.012 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 76.3 mt-30 -69.97 -33.15 71.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.603 -1.311 . . . . 0.0 108.328 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.754 ' O ' HD11 ' A' ' 61' ' ' LEU . 51.9 mt-10 -78.63 -49.36 13.35 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.823 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE1' HD23 ' A' ' 36' ' ' LEU . 68.5 t80 -60.03 -48.78 80.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.49 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.9 -34.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.096 -1.002 . . . . 0.0 110.406 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.6 t -59.91 -40.44 82.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.809 -1.182 . . . . 0.0 110.198 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.747 ' C ' HD13 ' A' ' 77' ' ' LEU . 1.8 tm? -64.41 -48.82 73.94 Favored 'General case' 0 N--CA 1.51 2.553 0 O-C-N 120.906 -1.121 . . . . 0.0 111.922 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.482 ' N ' HD13 ' A' ' 77' ' ' LEU . 1.5 t -59.92 -40.06 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.781 -1.199 . . . . 0.0 109.739 -178.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.98 97.02 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 121.632 0.73 . . . . 0.0 111.738 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.6 -23.28 49.91 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.795 HD11 ' ND2' ' X' ' 8' ' ' ASN . 12.1 mt -80.84 -41.39 23.28 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.439 -2.038 . . . . 0.0 109.707 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -55.45 -45.1 76.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.238 -0.914 . . . . 0.0 109.983 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 84' ' ' ALA . 11.6 m -60.03 -40.76 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.136 -0.978 . . . . 0.0 109.964 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -61.52 -26.3 67.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.483 -0.761 . . . . 0.0 109.136 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -72.49 -47.06 51.69 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.574 -0.704 . . . . 0.0 110.765 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -63.22 -42.54 99.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.99 -1.069 . . . . 0.0 110.613 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -61.63 -40.02 93.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.286 -0.884 . . . . 0.0 110.987 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 64.9 t80 -88.78 -9.92 50.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.044 . . . . 0.0 110.112 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.442 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 64.7 t80 -73.43 -37.27 65.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 0.0 108.887 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -80.5 -10.25 59.75 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.419 -0.801 . . . . 0.0 110.518 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -67.6 -39.96 84.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.938 -1.101 . . . . 0.0 109.064 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 89' ' ' PHE . 50.6 p30 -92.7 0.05 57.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.484 -0.76 . . . . 0.0 109.836 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.9 m . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.082 -1.011 . . . . 0.0 109.624 -179.856 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.955 0 N-CA-C 119.614 2.606 . . . . 0.0 119.614 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 31.9 t -76.96 156.41 31.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.156 -1.202 . . . . 0.0 109.332 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 79.0 mm-40 -42.03 -57.35 2.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.371 -0.831 . . . . 0.0 110.871 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.53 -40.88 89.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.952 -1.093 . . . . 0.0 110.004 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.77 -32.54 74.07 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.06 -1.025 . . . . 0.0 109.57 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.451 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -59.39 -47.82 83.99 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.972 0.891 . . . . 0.0 109.279 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.97 -27.75 67.7 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.59 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ttt -70.74 -48.28 55.32 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.528 -1.357 . . . . 0.0 110.34 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.0 -25.87 63.8 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.604 -0.685 . . . . 0.0 110.412 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -66.94 -57.88 6.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.965 -1.085 . . . . 0.0 109.803 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.433 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.9 mp -54.26 -40.12 67.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.123 -1.61 . . . . 0.0 110.243 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.7 mt -67.73 -39.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -80.68 -42.59 21.77 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 119.94 -1.725 . . . . 0.0 112.263 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.487 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.2 p -60.02 -40.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.726 -1.234 . . . . 0.0 108.286 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.668 ' CE2' HD13 ' B' ' 28' ' ' LEU . 10.1 t80 -60.3 -39.67 87.76 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.758 -1.214 . . . . 0.0 110.462 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -56.28 23.78 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -78.73 -45.09 21.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.994 -1.066 . . . . 0.0 110.698 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.8 p -59.92 -27.13 66.5 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.792 -0.568 . . . . 0.0 112.47 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.78 4.26 57.73 Favored Glycine 0 N--CA 1.501 2.971 0 O-C-N 120.803 -1.186 . . . . 0.0 111.386 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' B' ' 23' ' ' GLY . 68.6 mttm -124.05 -65.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.273 -1.134 . . . . 0.0 108.818 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.94 20.72 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.123 -0.986 . . . . 0.0 110.044 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 175.36 -174.05 46.59 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 118.652 -1.737 . . . . 0.0 112.319 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 37.2 t0 -39.57 152.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.522 0.677 . . . . 0.0 110.225 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 3.5 mptp? -51.93 -40.09 60.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.533 -0.73 . . . . 0.0 112.354 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -135.71 35.65 2.9 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.356 -1.465 . . . . 0.0 112.372 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -140.2 146.7 39.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.651 -1.281 . . . . 0.0 109.503 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.668 HD13 ' CE2' ' B' ' 15' ' ' PHE . 1.0 OUTLIER -93.81 162.31 13.97 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 122.109 0.957 . . . . 0.0 108.594 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.567 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.6 t -130.55 161.1 32.25 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -47.19 -34.05 5.95 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 117.646 -1.621 . . . . 0.0 111.453 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -81.11 -29.99 34.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.151 -1.593 . . . . 0.0 110.409 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' H ' ' B' ' 29' ' ' SER . 49.4 mt-10 -73.53 -40.05 64.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.483 -1.386 . . . . 0.0 110.68 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.607 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.6 pp -59.91 -44.66 94.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.547 -1.345 . . . . 0.0 108.773 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.607 ' N ' HD12 ' B' ' 33' ' ' LEU . 83.1 tttt -63.7 -39.97 95.62 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.412 ' HA ' ' NE2' ' B' ' 38' ' ' GLN . 95.8 m-20 -70.07 -40.01 75.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.634 -1.291 . . . . 0.0 110.886 -179.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' B' ' 74' ' ' PHE . 50.2 tp -63.64 -41.65 98.22 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-O 121.549 0.69 . . . . 0.0 110.808 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' B' ' 74' ' ' PHE . 89.2 mt -79.13 -46.84 17.2 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' B' ' 39' ' ' THR . 16.7 pt20 -65.22 -39.97 93.47 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.878 0.847 . . . . 0.0 112.904 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.454 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 69.5 m -52.45 -45.52 66.06 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.872 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -101.52 -16.9 16.64 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.08 -1.012 . . . . 0.0 111.773 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.544 HD13 HD13 ' B' ' 45' ' ' LEU . 40.4 mt -132.74 49.96 2.27 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.886 -1.133 . . . . 0.0 109.214 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.519 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 22.8 p -63.03 -49.71 73.55 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.881 . . . . 0.0 110.673 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.4 t -68.19 -39.97 82.32 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.191 -0.943 . . . . 0.0 111.814 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.2 t80 -84.53 -92.29 0.08 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.796 -1.19 . . . . 0.0 112.778 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.544 HD13 HD13 ' B' ' 41' ' ' LEU . 3.0 mp -33.52 134.86 0.13 Allowed 'General case' 0 N--CA 1.515 2.798 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.494 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.508 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.3 t0 -90.82 116.34 28.58 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-N 125.033 3.56 . . . . 0.0 109.726 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 48' ' ' GLN . 23.0 m -148.66 -39.97 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.056 . . . . 0.0 109.888 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.467 ' N ' HG23 ' B' ' 47' ' ' VAL . 17.9 pt20 -94.38 -40.5 9.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.155 -0.966 . . . . 0.0 111.842 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.519 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -59.98 -52.55 64.92 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -104.47 95.37 5.88 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.29 71.78 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 52' ' ' ASP . 50.3 t0 -59.94 -38.29 81.98 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.28 93.83 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.216 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -34.55 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.558 -1.339 . . . . 0.0 108.746 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 61.2 t0 -65.52 -40.01 92.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.967 -1.083 . . . . 0.0 110.505 -178.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -69.28 -43.27 74.22 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.224 -0.923 . . . . 0.0 110.505 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.94 -55.8 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.523 -0.736 . . . . 0.0 110.166 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.1 ttt -59.97 -32.52 70.9 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.524 -0.735 . . . . 0.0 109.691 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -49.99 75.53 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 118.89 -1.124 . . . . 0.0 108.324 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -70.53 -22.92 62.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.978 . . . . 0.0 108.697 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.744 HD11 ' O ' ' B' ' 73' ' ' GLU . 5.5 tp -82.94 -15.9 49.5 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -90.64 65.1 5.88 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -35.56 81.24 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.078 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.533 HD21 ' CG ' ' B' ' 66' ' ' ASP . 25.1 p-10 -71.51 -12.97 61.65 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.76 25.22 67.82 Favored Glycine 0 N--CA 1.485 1.905 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.533 ' CG ' HD21 ' B' ' 64' ' ' ASN . 32.5 p-10 -93.97 -117.31 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.532 ' H ' ' CG ' ' B' ' 66' ' ' ASP . . . -158.89 26.85 0.39 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -133.14 173.87 10.98 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.98 129.79 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.601 -1.312 . . . . 0.0 109.066 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 73' ' ' GLU . 96.0 m-20 -95.94 149.56 21.42 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.812 -1.18 . . . . 0.0 108.331 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' B' ' 75' ' ' VAL . 31.1 t80 -45.33 -31.62 1.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.047 . . . . 0.0 110.089 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.51 ' O ' HG23 ' B' ' 76' ' ' VAL . 75.5 mt-30 -70.05 -33.19 71.63 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 108.337 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.744 ' O ' HD11 ' B' ' 61' ' ' LEU . 52.0 mt-10 -78.55 -49.34 13.49 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.804 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.518 ' CE1' HD23 ' B' ' 36' ' ' LEU . 69.6 t80 -59.85 -49.08 79.11 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.191 -0.943 . . . . 0.0 112.426 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' B' ' 71' ' ' PHE . 39.8 t -60.02 -33.89 54.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.091 -1.006 . . . . 0.0 110.309 -177.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 72' ' ' GLN . 51.2 t -59.84 -40.57 83.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.889 -1.132 . . . . 0.0 110.239 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.738 ' C ' HD13 ' B' ' 77' ' ' LEU . 1.7 tm? -64.52 -48.82 73.68 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.887 -1.133 . . . . 0.0 111.989 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.486 ' N ' HD13 ' B' ' 77' ' ' LEU . 1.4 t -59.9 -40.08 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 120.566 -1.334 . . . . 0.0 109.66 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.45 97.13 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-O 121.689 0.756 . . . . 0.0 111.803 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.03 -23.23 48.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.63 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.679 HD21 ' ND2' ' Y' ' 8' ' ' ASN . 12.3 mt -81.19 -40.66 23.54 Favored 'General case' 0 N--CA 1.511 2.598 0 O-C-N 119.392 -2.068 . . . . 0.0 109.561 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -55.99 -45.19 79.09 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.268 -0.895 . . . . 0.0 109.918 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.437 HG23 ' N ' ' B' ' 84' ' ' ALA . 11.9 m -60.0 -40.82 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.056 -1.028 . . . . 0.0 109.929 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.437 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -61.24 -26.41 67.73 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.465 -0.772 . . . . 0.0 109.066 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -72.68 -47.16 49.63 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.654 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -63.29 -42.12 99.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.1 -1.0 . . . . 0.0 110.692 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -61.87 -40.01 93.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.284 -0.885 . . . . 0.0 111.063 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.461 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 65.2 t80 -88.8 -9.85 50.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.107 -0.995 . . . . 0.0 109.984 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.436 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 64.7 t80 -73.54 -37.15 65.69 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.219 -0.925 . . . . 0.0 109.023 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -80.5 -10.36 59.74 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.453 -0.78 . . . . 0.0 110.365 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -67.37 -40.01 85.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.844 -1.16 . . . . 0.0 109.111 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 50.4 p30 -92.74 -0.02 57.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.383 -0.823 . . . . 0.0 109.924 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.043 -1.036 . . . . 0.0 109.553 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' X' X ' 1' ' ' THR . . . . . 0.548 HG22 ' N ' ' X' ' 2' ' ' ARG . 59.4 m . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.548 ' N ' HG22 ' X' ' 1' ' ' THR . 74.2 ttt180 -143.3 156.45 44.72 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.053 -1.029 . . . . 0.0 109.204 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 3' ' ' THR . . . . . 0.45 HG23 ' HG2' ' X' ' 2' ' ' ARG . 18.9 p 54.03 -160.45 0.15 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.298 -0.876 . . . . 0.0 109.582 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' X' ' 3' ' ' THR 0.823 0.1 OUTLIER 78.61 109.45 0.07 Allowed 'General case' 1 N--CA 1.616 7.865 2 C-N-CA 108.326 -5.35 . . . . 0.0 107.931 177.726 . . . . . . . . 6 4 . 1 . 003 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.414 ' H ' HG23 ' X' ' 5' ' ' ILE . 5.1 pt -62.12 -40.01 85.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 1 CA-C-N 126.755 4.343 . . . . 0.0 110.36 170.204 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 47.35 18.37 0.1 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.039 -1.038 . . . . 0.0 110.447 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.647 ' O ' HG22 ' X' ' 10' ' ' ILE . 32.4 t90 -60.09 -49.9 75.84 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.03 -1.044 . . . . 0.0 110.418 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.628 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.3 -35.68 38.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.776 -1.828 . . . . 0.0 109.14 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.42 ' HZ3' ' HD3' ' A' ' 56' ' ' LYS . 34.0 tttp -56.1 -23.4 33.85 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.647 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -55.07 -38.44 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 66.4 tp -59.92 -43.96 94.58 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 117.902 -1.047 . . . . 0.0 109.26 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 22.9 ttm105 60.01 21.7 10.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.353 -0.842 . . . . 0.0 109.043 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 5.6 t -143.76 43.2 1.47 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.342 -0.849 . . . . 0.0 109.007 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -93.21 13.21 21.86 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.283 -0.886 . . . . 0.0 109.891 -179.513 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.505 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.7 OUTLIER 34.69 97.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.25 0 CA-C-O 122.703 1.239 . . . . 0.0 110.707 -179.493 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.473 ' HB3' ' HZ2' ' Y' ' 9' ' ' LYS . 92.4 m-20 -98.14 27.87 4.35 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.612 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.5 t90 -59.97 -48.04 83.35 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.684 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.467 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 10.8 p-10 -49.26 -38.22 26.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.341 -1.474 . . . . 0.0 109.083 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.473 ' HZ2' ' HB3' ' Y' ' 6' ' ' ASP . 4.9 ttpm? -59.49 -24.45 63.61 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.612 HG22 ' O ' ' Y' ' 7' ' ' TRP . 12.9 tt -52.83 -34.05 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' B' ' 80' ' ' ALA . 0.2 OUTLIER -65.42 -38.18 89.15 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.791 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.7 t . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.614 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.429 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 39.8 m -80.39 167.61 19.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.132 -1.217 . . . . 0.0 109.088 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -60.05 -43.38 95.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.893 -1.129 . . . . 0.0 111.452 -178.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.2 -41.69 89.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.371 -1.455 . . . . 0.0 111.467 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 2' ' ' SER . 14.0 pt-20 -69.95 -23.69 63.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.431 -1.418 . . . . 0.0 109.296 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 m -59.95 -42.01 93.14 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.877 0.846 . . . . 0.0 109.167 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -76.89 -27.6 55.05 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -65.78 -52.7 48.66 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.348 -1.47 . . . . 0.0 109.629 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -31.23 69.75 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.125 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -68.17 -56.71 7.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.754 -1.216 . . . . 0.0 110.316 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -47.71 -39.7 18.3 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.305 -1.497 . . . . 0.0 108.957 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.42 -40.02 81.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 O-C-N 121.419 -0.801 . . . . 0.0 111.699 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -77.04 -41.66 41.62 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.014 -1.679 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 15' ' ' PHE . 8.6 m -60.43 -44.77 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 109.074 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' N ' HG23 ' A' ' 14' ' ' VAL . 6.4 t80 -60.16 -40.4 89.77 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.733 -0.605 . . . . 0.0 109.726 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.25 -36.16 79.24 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.453 -1.404 . . . . 0.0 109.204 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -56.08 -55.72 29.48 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.536 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 3.9 t60 -84.57 -40.05 18.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.801 -1.187 . . . . 0.0 111.29 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -60.15 -29.4 68.63 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.354 -0.841 . . . . 0.0 113.026 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.53 9.97 41.83 Favored Glycine 0 N--CA 1.504 3.229 0 O-C-N 120.75 -1.219 . . . . 0.0 112.717 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -115.57 -62.52 1.58 Allowed 'General case' 0 N--CA 1.507 2.39 0 CA-C-N 119.483 1.641 . . . . 0.0 109.062 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.66 77.1 2.04 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.21 -155.39 26.11 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.892 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 54.3 t0 -82.34 153.08 25.97 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.1 mtmp? -57.48 -53.74 54.72 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.134 -0.978 . . . . 0.0 112.499 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 65.0 t80 -117.71 22.9 12.06 Favored 'General case' 0 N--CA 1.511 2.615 0 O-C-N 120.494 -1.379 . . . . 0.0 112.549 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -133.01 140.01 47.52 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.56 -1.338 . . . . 0.0 108.239 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.8 tp -93.96 157.72 15.97 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.655 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 71.3 m -130.36 167.97 17.68 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.982 -1.074 . . . . 0.0 109.989 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.551 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 tptt -47.75 -38.76 16.13 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.284 -0.885 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 78.1 tttt -82.15 -30.94 30.76 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.242 -1.536 . . . . 0.0 110.485 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.655 ' HB2' ' H ' ' A' ' 29' ' ' SER . 46.8 mt-10 -70.03 -39.91 75.5 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.533 -1.355 . . . . 0.0 110.481 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.3 pp -65.49 -42.03 92.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' N ' HD12 ' A' ' 33' ' ' LEU . 52.9 tttm -62.43 -38.66 90.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 112.038 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.536 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 3.5 p30 -80.73 -37.69 30.1 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 111.386 -177.663 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 42.6 tp -60.17 -49.74 76.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.995 -1.065 . . . . 0.0 109.216 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.7 mp -69.08 -42.55 76.04 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.834 0.826 . . . . 0.0 110.573 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -69.85 -36.67 75.74 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.518 0.675 . . . . 0.0 110.839 -178.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.6 m -59.91 -50.77 72.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.689 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -97.9 -13.46 21.2 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.95 -1.094 . . . . 0.0 111.571 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 mt -128.76 44.37 2.98 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 t -60.16 -49.61 76.96 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.531 0.681 . . . . 0.0 110.589 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.543 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 80.2 p -79.6 -18.65 51.14 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.758 -0.589 . . . . 0.0 111.96 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.7 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t80 -95.14 -105.15 0.15 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.417 -1.427 . . . . 0.0 111.431 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.7 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -13.54 154.07 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.025 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.436 175.898 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.628 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 1.7 m-20 -92.51 112.76 24.83 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 124.191 3.178 . . . . 0.0 110.158 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.0 -83.74 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.488 0 O-C-N 120.445 -1.409 . . . . 0.0 109.716 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.442 ' OE1' ' NZ ' ' A' ' 34' ' ' LYS . 4.2 mm100 -60.02 -40.06 88.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 111.48 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' NZ ' ' O ' ' A' ' 43' ' ' SER . 45.3 mtmt -67.3 -19.9 65.54 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -144.67 90.89 2.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.55 77.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.07 -34.03 71.49 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.82 83.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.255 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -36.72 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.496 -1.378 . . . . 0.0 108.41 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.551 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 96.2 m-20 -67.87 -40.55 83.59 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.349 -0.844 . . . . 0.0 111.81 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HD3' ' HZ3' ' X' ' 9' ' ' LYS . 97.6 mttt -70.01 -39.95 75.54 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.953 -1.092 . . . . 0.0 110.35 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.429 HD11 ' CG ' ' X' ' 8' ' ' ASN . 70.3 mt -67.67 -54.36 23.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-O 121.979 0.895 . . . . 0.0 110.559 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ASP . 18.4 ttt -60.07 -37.21 79.23 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.687 -0.633 . . . . 0.0 109.907 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -59.89 -45.71 91.65 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -58.35 -24.69 60.55 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.6 mt -95.09 -21.24 18.68 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' MET . 85.3 m-20 -73.12 43.54 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.2 mm-40 -60.35 -40.3 90.22 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.694 -0.803 . . . . 0.0 109.778 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.05 35.9 52.71 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 107.496 -2.242 . . . . 0.0 107.496 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -92.68 -9.07 42.15 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.48 -1.012 . . . . 0.0 111.609 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.13 12.49 75.87 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -133.39 174.29 10.56 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.51 129.39 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 120.813 -1.179 . . . . 0.0 109.397 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 41.3 t0 -98.79 152.75 19.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.034 -1.041 . . . . 0.0 109.144 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.533 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 11.2 t80 -50.38 -19.98 0.98 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.52 -0.737 . . . . 0.0 109.042 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 mp0 -77.88 -24.5 48.46 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.883 -1.135 . . . . 0.0 108.349 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 70' ' ' ASP . 80.3 mt-10 -86.98 -49.47 7.32 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.719 0.771 . . . . 0.0 109.987 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 37' ' ' LEU . 9.4 t80 -63.59 -47.24 82.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.739 -0.601 . . . . 0.0 110.671 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.677 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.3 t -59.99 -40.07 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.028 -1.045 . . . . 0.0 109.677 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.8 t -60.7 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.946 -1.096 . . . . 0.0 109.921 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.692 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.1 tm? -63.16 -50.39 70.58 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.378 -0.826 . . . . 0.0 112.461 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 82' ' ' THR . 13.3 m -60.0 -39.57 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 120.438 -1.414 . . . . 0.0 109.285 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.701 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.05 -39.16 85.0 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.551 -0.718 . . . . 0.0 109.718 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -79.46 -26.43 41.71 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.5 HD11 ' OD1' ' X' ' 8' ' ' ASN . 84.0 mt -84.5 -47.93 10.1 Favored 'General case' 0 N--CA 1.511 2.607 0 O-C-N 119.332 -2.105 . . . . 0.0 108.911 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.555 HG23 ' N ' ' A' ' 83' ' ' VAL . 8.8 t -47.85 -45.65 30.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.475 -0.766 . . . . 0.0 109.472 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.555 ' N ' HG23 ' A' ' 82' ' ' THR . 15.5 m -60.18 -41.88 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.0 110.467 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.03 -27.12 66.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.89 -45.93 47.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.04 -41.09 91.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.977 . . . . 0.0 110.279 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -59.97 -40.12 88.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.162 -0.961 . . . . 0.0 110.184 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.94 -0.8 57.78 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.128 -0.983 . . . . 0.0 109.397 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.27 -19.59 50.18 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -92.56 -2.24 56.32 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' CG ' ' N ' ' A' ' 92' ' ' ASN . 17.1 pt-20 -59.96 -40.91 90.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.403 -0.81 . . . . 0.0 110.455 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 97.0 m-20 -100.41 0.2 39.37 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.216 -0.927 . . . . 0.0 109.344 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.62 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.464 2.546 . . . . 0.0 119.464 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.452 ' H ' ' CD ' ' B' ' 5' ' ' GLU . 49.7 m -80.04 167.72 20.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.091 -1.24 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -60.19 -43.38 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.161 -0.962 . . . . 0.0 111.347 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.03 -41.86 90.35 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.353 -1.467 . . . . 0.0 111.428 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' B' ' 2' ' ' SER . 14.1 pt-20 -69.96 -23.45 63.19 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.364 -1.46 . . . . 0.0 109.202 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 -42.18 93.55 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 122.015 0.912 . . . . 0.0 109.167 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -76.94 -27.48 54.87 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.6 mmm -65.63 -52.86 48.67 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.447 -1.408 . . . . 0.0 109.691 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.83 -32.03 71.44 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.088 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.71 -56.7 8.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.71 -1.244 . . . . 0.0 110.348 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -47.6 -39.61 17.25 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.249 -1.532 . . . . 0.0 108.968 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.3 mt -68.64 -40.06 81.22 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 O-C-N 121.346 -0.846 . . . . 0.0 111.615 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -76.77 -41.86 43.07 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.008 -1.683 . . . . 0.0 112.087 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.574 HG23 ' N ' ' B' ' 15' ' ' PHE . 10.1 m -60.36 -45.01 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.079 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.574 ' N ' HG23 ' B' ' 14' ' ' VAL . 6.5 t80 -60.05 -40.41 89.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.787 -0.571 . . . . 0.0 109.667 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -61.23 -36.12 79.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.371 -1.455 . . . . 0.0 109.184 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -55.74 -56.15 23.9 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -177.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 3.9 t60 -84.47 -40.14 18.06 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.867 -1.146 . . . . 0.0 111.262 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 6.9 m -60.18 -29.53 68.75 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.3 -0.875 . . . . 0.0 113.052 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.36 10.03 42.49 Favored Glycine 0 N--CA 1.505 3.268 0 O-C-N 120.815 -1.178 . . . . 0.0 112.623 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -115.77 -62.33 1.61 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-N 119.553 1.677 . . . . 0.0 109.023 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -99.82 76.83 1.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.49 -155.22 26.02 Favored Glycine 0 N--CA 1.487 2.091 0 C-N-CA 119.407 -1.378 . . . . 0.0 110.854 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 55.6 t0 -82.53 153.01 25.76 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.78 -0.835 . . . . 0.0 108.78 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.535 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 8.3 mtmp? -57.16 -53.92 52.59 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 112.689 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 65.2 t80 -117.48 22.74 12.22 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 120.407 -1.433 . . . . 0.0 112.456 -177.292 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -133.0 140.05 47.55 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.144 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.495 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.0 tp -94.04 157.85 15.9 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.659 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 68.6 m -130.57 168.11 17.62 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.927 -1.108 . . . . 0.0 110.015 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.544 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 48.0 tptt -47.76 -38.85 16.39 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.339 -0.85 . . . . 0.0 111.005 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.421 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 79.5 tttt -82.01 -31.13 31.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.151 -1.593 . . . . 0.0 110.436 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.659 ' HB2' ' H ' ' B' ' 29' ' ' SER . 46.8 mt-10 -69.92 -40.02 75.82 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.481 -1.387 . . . . 0.0 110.473 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.642 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.4 pp -65.3 -42.24 93.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.97 -1.081 . . . . 0.0 110.47 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.642 ' N ' HD12 ' B' ' 33' ' ' LEU . 52.5 tttm -62.27 -38.82 90.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 112.049 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 3.4 p30 -80.61 -37.69 30.68 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.028 -1.045 . . . . 0.0 111.347 -177.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 44.5 tp -59.99 -49.75 76.45 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.983 -1.073 . . . . 0.0 109.203 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 4.9 mp -69.23 -42.48 75.62 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.884 0.849 . . . . 0.0 110.582 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -69.97 -36.58 75.31 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.546 -0.721 . . . . 0.0 110.915 -178.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -59.95 -50.78 72.41 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.492 -175.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -97.76 -13.6 21.3 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.984 -1.073 . . . . 0.0 111.523 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -128.74 44.49 2.95 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 13.8 t -60.0 -49.97 75.59 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.599 0.714 . . . . 0.0 110.583 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 83.6 p -79.49 -17.69 53.6 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.66 -0.65 . . . . 0.0 111.935 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' B' ' 45' ' ' LEU . 13.6 t80 -96.42 -92.11 0.22 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.445 -1.409 . . . . 0.0 113.268 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -37.84 160.03 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -176.016 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 1.0 OUTLIER -91.99 113.02 25.18 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 119.053 -2.279 . . . . 0.0 109.59 178.111 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -144.91 -83.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 120.707 -1.246 . . . . 0.0 109.432 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.452 ' OE1' ' NZ ' ' B' ' 34' ' ' LYS . 4.2 mm100 -60.04 -40.08 88.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 0.0 111.534 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 43' ' ' SER . 44.0 mtmt -67.64 -19.75 65.24 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -144.46 90.74 2.12 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.01 76.4 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.9 -34.25 71.46 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.86 86.83 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.972 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -36.26 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.413 -1.429 . . . . 0.0 108.437 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.544 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.5 m-20 -68.33 -40.25 81.66 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.198 -0.939 . . . . 0.0 111.801 -178.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.408 ' HZ3' ' HD2' ' Y' ' 9' ' ' LYS . 95.6 mttt -70.39 -39.97 74.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.854 -1.154 . . . . 0.0 110.185 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.427 HG13 HD22 ' Y' ' 8' ' ' ASN . 81.2 mt -67.44 -54.3 24.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 CA-C-O 121.872 0.844 . . . . 0.0 110.511 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.458 ' O ' ' N ' ' B' ' 62' ' ' ASP . 18.8 ttt -60.02 -37.21 79.08 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.421 0.629 . . . . 0.0 109.98 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -60.08 -45.7 92.03 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -58.88 -22.8 60.02 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' B' ' 63' ' ' GLU . 67.6 mt -96.74 -21.09 17.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.404 -0.81 . . . . 0.0 110.152 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' B' ' 58' ' ' MET . 85.0 m-20 -73.3 43.56 0.13 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.1 mm-40 -60.45 -40.23 90.4 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.661 -0.815 . . . . 0.0 109.735 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 -77.94 -19.38 54.72 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.85 35.71 53.99 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -92.43 -9.2 42.42 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.437 -1.037 . . . . 0.0 111.606 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.02 12.72 75.64 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -133.55 174.7 10.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 13.0 t -132.05 129.11 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 120.764 -1.21 . . . . 0.0 109.475 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -98.79 152.58 19.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.991 -1.068 . . . . 0.0 109.064 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 11.0 t80 -50.06 -19.98 0.86 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.531 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.4 mp0 -78.08 -24.23 47.71 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.842 -1.161 . . . . 0.0 108.404 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 70' ' ' ASP . 80.7 mt-10 -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.592 0.711 . . . . 0.0 110.005 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.464 ' CE1' HD11 ' B' ' 37' ' ' LEU . 9.2 t80 -63.67 -47.02 82.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.776 -0.578 . . . . 0.0 110.595 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.701 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.3 t -60.1 -40.01 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.985 -1.072 . . . . 0.0 109.836 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -60.55 -40.76 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.832 -1.167 . . . . 0.0 109.942 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.687 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.1 tm? -63.38 -50.28 70.52 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.223 -0.923 . . . . 0.0 112.53 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.435 ' O ' HG22 ' B' ' 82' ' ' THR . 15.4 m -60.03 -39.49 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.462 -1.399 . . . . 0.0 109.313 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.04 -39.46 86.01 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 121.769 0.795 . . . . 0.0 109.657 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' Y' ' 11' ' ' LEU . . . -79.38 -26.41 41.99 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.588 HD23 HD23 ' Y' ' 11' ' ' LEU . 85.3 mt -84.18 -47.61 10.67 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.365 -2.084 . . . . 0.0 109.012 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.547 HG23 ' N ' ' B' ' 83' ' ' VAL . 8.8 t -48.24 -45.74 34.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.693 -0.63 . . . . 0.0 109.52 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.547 ' N ' HG23 ' B' ' 82' ' ' THR . 14.6 m -60.04 -41.92 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 0.0 110.496 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.474 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -60.1 -26.72 66.43 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.358 -0.839 . . . . 0.0 109.299 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -74.35 -45.78 44.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.08 -40.99 91.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -60.16 -39.97 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.124 -0.985 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.91 -0.82 57.78 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.085 -1.009 . . . . 0.0 109.545 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -79.36 -19.66 49.68 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -92.37 -2.27 56.47 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' B' ' 92' ' ' ASN . 17.1 pt-20 -60.06 -41.03 91.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.407 -0.808 . . . . 0.0 110.509 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.418 ' N ' ' CG ' ' B' ' 91' ' ' GLU . 96.9 m-20 -100.16 0.43 40.52 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.207 -0.933 . . . . 0.0 109.292 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.629 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.363 0.602 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? 50.03 -143.19 0.58 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.305 -0.872 . . . . 0.0 109.204 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 53.6 p -120.4 121.64 38.99 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.31 -0.869 . . . . 0.0 109.455 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -37.54 14.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.238 -0.914 . . . . 0.0 109.241 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -161.26 115.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.123 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 p-10 -149.14 9.67 0.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.157 -0.964 . . . . 0.0 109.43 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.591 ' O ' ' N ' ' X' ' 10' ' ' ILE . 8.5 p-90 -69.91 -23.32 63.21 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.212 -1.555 . . . . 0.0 110.105 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' X' ' 7' ' ' TRP . 60.8 t30 -52.97 -32.68 47.44 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 119.421 -2.049 . . . . 0.0 106.197 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' X' ' 12' ' ' SER . 86.3 tttt -63.26 -30.15 71.34 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -42.16 -46.57 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.753 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.547 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 54.9 tp -64.97 -40.17 94.6 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.497 ' N ' ' O ' ' X' ' 9' ' ' LYS . 2.1 t . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.378 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -100.08 11.2 39.91 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.437 -0.79 . . . . 0.0 109.782 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 15.8 p -59.94 -40.04 87.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.232 -0.917 . . . . 0.0 109.141 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -93.08 174.02 7.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.49 -0.756 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.488 HD13 ' NZ ' ' B' ' 49' ' ' LYS . 41.9 pt -99.91 138.25 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -120.88 9.81 10.74 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.027 -1.045 . . . . 0.0 109.251 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.651 ' O ' HG22 ' Y' ' 10' ' ' ILE . 63.7 t90 -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.165 -0.96 . . . . 0.0 111.414 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.56 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 1.2 t-20 -51.4 -34.13 33.29 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 119.356 -2.09 . . . . 0.0 109.467 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.19 -23.2 54.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.651 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.5 tt -52.39 -40.2 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 177.429 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.472 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 27.8 tp -76.85 -39.9 49.6 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.562 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' Y' ' 11' ' ' LEU . 2.1 p . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.289 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.52 2.568 . . . . 0.0 119.52 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -83.34 158.24 22.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.237 -1.155 . . . . 0.0 109.782 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -41.62 -57.19 2.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.546 -0.721 . . . . 0.0 110.923 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.14 -42.29 84.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.064 -1.022 . . . . 0.0 110.927 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.06 -38.06 81.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.875 -1.14 . . . . 0.0 109.575 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.3 m -54.27 -48.8 70.81 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.002 0.906 . . . . 0.0 110.167 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -26.74 67.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.8 ttt -71.08 -49.06 48.59 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.38 -1.45 . . . . 0.0 110.482 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.96 -26.85 64.31 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.536 -0.727 . . . . 0.0 110.375 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.69 -56.71 13.62 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.856 -1.152 . . . . 0.0 109.024 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.0 mp -59.42 -39.42 83.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.168 -1.582 . . . . 0.0 110.398 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 73.6 mt -64.16 -39.88 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.426 -1.421 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.47 -41.87 26.55 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.82 -1.8 . . . . 0.0 112.195 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.2 p -61.61 -42.05 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.287 . . . . 0.0 109.483 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.767 ' CE2' HD13 ' A' ' 28' ' ' LEU . 5.9 t80 -60.09 -39.94 87.84 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.611 -0.68 . . . . 0.0 109.561 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 12' ' ' ILE . 29.0 m80 -62.59 -36.24 82.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.543 -1.348 . . . . 0.0 109.984 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.44 31.89 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.143 -0.973 . . . . 0.0 112.907 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -83.16 -40.77 19.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.968 -1.083 . . . . 0.0 112.252 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -61.32 -31.1 70.95 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.07 15.31 56.7 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 120.614 -1.303 . . . . 0.0 113.087 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.8 -57.83 2.18 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 120.07 1.935 . . . . 0.0 110.322 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -101.48 23.21 11.43 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.168 -0.958 . . . . 0.0 111.339 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.23 -166.63 23.46 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 118.393 -1.86 . . . . 0.0 111.943 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -58.73 140.41 54.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.918 -0.754 . . . . 0.0 109.247 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.08 -50.0 59.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.387 -0.82 . . . . 0.0 111.892 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -108.94 19.96 18.99 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.745 -1.222 . . . . 0.0 112.078 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -136.48 144.54 44.4 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.503 -1.373 . . . . 0.0 110.768 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.767 HD13 ' CE2' ' A' ' 15' ' ' PHE . 1.6 tp -92.55 117.62 30.14 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.253 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -77.34 159.93 29.18 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 119.822 -1.799 . . . . 0.0 108.649 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.94 -38.07 2.09 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.13 -0.981 . . . . 0.0 110.543 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -80.31 -27.85 38.36 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.487 -1.383 . . . . 0.0 110.124 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.92 -40.13 72.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.586 -1.321 . . . . 0.0 110.716 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 2.8 pp -63.79 -44.17 94.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.678 -1.264 . . . . 0.0 109.847 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 72.2 tttt -64.06 -39.77 94.81 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.446 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.13 -39.95 75.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.766 -1.209 . . . . 0.0 110.908 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.07 -47.47 84.56 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.61 -0.681 . . . . 0.0 110.582 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 74' ' ' PHE . 4.1 mm? -69.94 -49.08 55.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.73 . . . . 0.0 112.359 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 12.7 pt20 -65.66 -40.43 92.42 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 96.4 m -48.91 -49.96 37.44 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.199 -0.938 . . . . 0.0 111.427 -174.559 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.04 -13.03 20.04 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.204 -0.935 . . . . 0.0 110.338 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 mt -132.75 40.8 3.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -60.02 -50.71 72.65 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.726 0.774 . . . . 0.0 110.684 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -81.55 -17.63 47.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.668 -0.645 . . . . 0.0 112.268 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -84.07 -105.86 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.096 -1.627 . . . . 0.0 110.476 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.645 ' O ' ' O ' ' A' ' 44' ' ' PHE . 8.4 mp -16.33 153.5 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.895 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.423 174.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -92.95 108.71 20.21 Favored 'General case' 0 N--CA 1.511 2.608 0 CA-C-N 123.547 2.885 . . . . 0.0 109.013 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.498 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -148.18 -61.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 120.166 -1.584 . . . . 0.0 108.678 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.7 mm100 -70.02 -40.27 75.3 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.015 . . . . 0.0 110.243 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.27 -21.82 62.92 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -139.8 90.51 2.4 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.74 67.27 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.03 -37.39 79.64 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.2 81.36 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.683 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -39.14 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.115 -1.616 . . . . 0.0 107.924 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.65 -39.96 94.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.763 -0.586 . . . . 0.0 111.712 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.65 -40.14 96.1 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.812 -1.18 . . . . 0.0 110.08 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.09 -41.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.633 0.73 . . . . 0.0 110.067 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.588 -0.695 . . . . 0.0 111.374 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 2.9 ptmt -65.52 -36.88 85.15 Favored 'General case' 0 C--N 1.289 -2.048 0 C-N-CA 117.998 -1.481 . . . . 0.0 107.11 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 83.1 tt0 -63.67 -30.27 71.4 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 73' ' ' GLU . 25.1 mt -90.89 -18.65 24.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.497 -0.752 . . . . 0.0 110.542 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 87.0 m-20 -77.96 43.35 0.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.654 -1.279 . . . . 0.0 108.403 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.5 mt-10 -60.09 -40.59 90.13 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.804 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.08 -18.74 57.8 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.19 33.68 58.93 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.108 -1.997 . . . . 0.0 108.108 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' O ' ' OE2' ' A' ' 68' ' ' GLU . 33.3 p-10 -89.98 -8.99 50.35 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.374 -1.074 . . . . 0.0 111.985 -177.288 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.98 6.85 88.96 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 66' ' ' ASP . 10.0 mp0 -142.31 169.34 17.76 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.28 125.74 68.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' GLU . 83.9 m-20 -90.79 146.48 23.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.438 ' CE2' ' CG ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -42.65 -32.18 0.55 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.238 -0.914 . . . . 0.0 110.52 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.99 -27.48 64.74 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 109.16 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' ASP . 86.5 mt-10 -82.37 -42.76 18.26 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.936 0.874 . . . . 0.0 109.914 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 37' ' ' LEU . 4.2 t80 -67.82 -49.81 60.23 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.476 -0.765 . . . . 0.0 111.254 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' B' ' 79' ' ' ALA . 5.4 p -59.98 -34.2 55.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.269 -0.895 . . . . 0.0 110.591 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -62.44 -33.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.439 178.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.708 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.2 tm? -69.42 -55.01 11.55 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.606 -0.684 . . . . 0.0 112.001 -177.708 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 79' ' ' ALA . 35.6 m -60.19 -35.39 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 CA-C-O 122.555 1.169 . . . . 0.0 109.42 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -65.6 -39.94 92.1 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.797 0.808 . . . . 0.0 110.199 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.34 57.92 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.071 HD13 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -70.95 -39.97 72.29 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 119.36 -2.088 . . . . 0.0 109.899 -177.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 1.071 ' N ' HD13 ' A' ' 81' ' ' LEU . 2.2 t -60.15 -49.81 76.16 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.779 -1.2 . . . . 0.0 110.97 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 84' ' ' ALA . 13.3 m -60.05 -40.55 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.829 -1.17 . . . . 0.0 109.843 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.442 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.46 -25.79 68.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.561 -0.712 . . . . 0.0 109.12 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.552 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 54.1 t -69.34 -41.36 76.74 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.122 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.74 -40.61 93.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.939 -1.101 . . . . 0.0 108.813 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.42 -39.85 92.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.616 -0.678 . . . . 0.0 109.704 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 64.6 t80 -77.46 -10.42 59.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.483 -0.761 . . . . 0.0 110.006 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 3.5 m-85 -90.85 -20.82 21.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.079 -1.013 . . . . 0.0 109.026 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -89.98 -11.64 41.04 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.333 -0.855 . . . . 0.0 110.046 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 18.9 pt-20 -61.53 -39.96 92.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.977 -1.077 . . . . 0.0 109.552 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -88.24 -0.45 57.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.175 -0.953 . . . . 0.0 109.203 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.376 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.783 0 N-CA-C 119.512 2.565 . . . . 0.0 119.512 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 76.0 p -83.48 158.13 22.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.122 -1.222 . . . . 0.0 109.697 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -41.74 -57.22 2.4 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.506 -0.746 . . . . 0.0 110.926 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.05 -42.08 85.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 110.945 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -59.96 -38.15 81.62 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.928 -1.108 . . . . 0.0 109.602 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -54.48 -48.6 71.62 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 122.003 0.906 . . . . 0.0 110.256 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.04 -26.95 67.75 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.3 ttt -71.13 -48.98 48.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.323 -1.486 . . . . 0.0 110.505 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.561 -0.712 . . . . 0.0 110.457 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -63.7 -56.66 13.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.824 -1.172 . . . . 0.0 109.131 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.487 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.0 mp -59.38 -39.48 83.47 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.185 -1.572 . . . . 0.0 110.507 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.428 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 72.5 mt -64.08 -39.96 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.474 -1.391 . . . . 0.0 112.125 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.44 -41.98 26.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 119.873 -1.767 . . . . 0.0 112.204 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.2 p -61.34 -42.12 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.655 -1.278 . . . . 0.0 109.43 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' B' ' 28' ' ' LEU . 6.1 t80 -60.03 -40.1 88.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.637 -0.665 . . . . 0.0 109.556 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' B' ' 12' ' ' ILE . 29.3 m80 -62.44 -36.54 82.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.672 -1.267 . . . . 0.0 110.03 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.35 -55.51 30.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.198 -0.939 . . . . 0.0 112.902 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -83.02 -40.84 19.41 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.954 -1.091 . . . . 0.0 112.312 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -61.34 -31.01 70.87 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.93 15.19 56.99 Favored Glycine 0 N--CA 1.502 3.076 0 O-C-N 120.517 -1.364 . . . . 0.0 113.139 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.86 -57.58 2.21 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.02 1.91 . . . . 0.0 110.379 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -101.91 23.26 11.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 111.267 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.12 -166.96 23.88 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 118.528 -1.796 . . . . 0.0 111.933 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -58.54 140.49 54.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.9 -0.765 . . . . 0.0 109.308 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -51.35 -49.92 60.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.373 -0.829 . . . . 0.0 111.912 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.82 20.11 18.86 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.789 -1.195 . . . . 0.0 112.101 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -136.68 144.47 43.96 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.525 -1.36 . . . . 0.0 110.655 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' B' ' 15' ' ' PHE . 1.6 tp -92.27 117.76 30.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.307 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -77.47 159.94 29.03 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 119.754 -1.841 . . . . 0.0 108.511 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -43.07 -38.04 2.2 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.25 -0.906 . . . . 0.0 110.451 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -80.16 -27.8 38.94 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.501 -1.374 . . . . 0.0 110.164 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.06 -40.12 71.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.551 -1.343 . . . . 0.0 110.654 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.448 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 2.9 pp -63.8 -44.09 94.35 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.685 -1.259 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.448 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 73.0 tttt -64.01 -39.98 95.32 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.229 -0.989 . . . . 0.0 111.464 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.95 -40.04 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.733 -1.23 . . . . 0.0 111.115 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.94 -47.61 84.13 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.579 -0.701 . . . . 0.0 110.629 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' B' ' 74' ' ' PHE . 4.0 mm? -70.0 -49.02 55.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 112.384 -177.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.3 pt20 -65.54 -40.45 92.91 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 98.5 m -48.87 -49.95 37.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.13 -0.981 . . . . 0.0 111.415 -174.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -99.01 -13.23 19.98 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.234 -0.916 . . . . 0.0 110.304 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 51.9 mt -132.32 40.64 3.29 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.5 t -60.09 -50.76 72.45 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.672 0.748 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -81.59 -16.62 51.02 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.64 -0.663 . . . . 0.0 112.206 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.7 t80 -85.64 -92.37 0.09 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.16 -1.588 . . . . 0.0 112.246 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 44' ' ' PHE . 8.1 mp -39.93 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.56 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.3 t0 -93.06 107.89 19.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.328 -2.107 . . . . 0.0 108.634 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.0 m -148.14 -61.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 120.549 -1.344 . . . . 0.0 108.304 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.8 mm100 -70.11 -40.56 74.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.242 -0.911 . . . . 0.0 110.274 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.488 ' NZ ' HD13 ' Y' ' 5' ' ' ILE . 46.3 mtmt -69.98 -22.1 63.17 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -139.87 90.51 2.39 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.68 67.22 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.94 -37.36 79.31 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.83 85.43 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.361 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.98 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.163 -1.586 . . . . 0.0 108.147 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.71 -40.14 94.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.622 -0.674 . . . . 0.0 111.742 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.52 -40.13 96.24 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.662 -1.274 . . . . 0.0 110.133 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.403 ' N ' HD12 ' B' ' 57' ' ' ILE . 1.7 mp -72.08 -41.88 67.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 O-C-N 121.496 -0.752 . . . . 0.0 110.158 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -64.34 -39.93 94.87 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.551 -0.718 . . . . 0.0 111.392 -177.494 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' B' ' 60' ' ' GLU . 3.3 ptmt -65.36 -36.76 84.97 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 118.004 -1.478 . . . . 0.0 107.089 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 78.0 tt0 -64.71 -27.65 69.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.446 HD22 ' O ' ' B' ' 73' ' ' GLU . 24.5 mt -92.99 -18.62 22.48 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 86.5 m-20 -77.98 43.11 0.42 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.778 -1.201 . . . . 0.0 108.396 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.4 mt-10 -60.02 -40.73 90.28 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.582 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -76.85 -18.99 58.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.45 33.52 58.5 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.435 ' O ' ' OE2' ' B' ' 68' ' ' GLU . 32.8 p-10 -89.98 -9.14 49.81 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.417 -1.049 . . . . 0.0 111.987 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.97 7.11 88.8 Favored Glycine 0 N--CA 1.503 3.104 0 N-CA-C 109.666 -1.373 . . . . 0.0 109.666 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 66' ' ' ASP . 9.8 mp0 -142.58 169.3 17.84 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -111.1 125.69 68.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.122 -0.986 . . . . 0.0 109.881 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' B' ' 73' ' ' GLU . 84.5 m-20 -90.72 146.54 23.92 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.433 ' CE2' ' CG ' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -42.58 -32.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 110.582 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.95 -27.56 64.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 119.999 -1.688 . . . . 0.0 109.153 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 70' ' ' ASP . 85.4 mt-10 -82.46 -42.57 18.34 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.843 0.83 . . . . 0.0 109.828 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.414 ' CE1' HD21 ' B' ' 37' ' ' LEU . 4.3 t80 -67.98 -49.67 60.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.452 -0.78 . . . . 0.0 111.262 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.641 HG22 ' HB1' ' A' ' 79' ' ' ALA . 5.5 p -60.03 -34.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.232 -0.917 . . . . 0.0 110.648 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.441 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -62.5 -33.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.503 178.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.715 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.2 tm? -69.6 -54.97 11.43 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.627 -0.671 . . . . 0.0 111.917 -177.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 79' ' ' ALA . 35.7 m -60.17 -35.33 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 122.479 1.133 . . . . 0.0 109.405 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -65.74 -39.94 91.63 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.937 0.875 . . . . 0.0 110.196 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.96 -34.89 57.55 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 1.052 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -71.38 -39.78 71.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 119.254 -2.154 . . . . 0.0 110.045 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 1.052 ' N ' HD13 ' B' ' 81' ' ' LEU . 2.1 t -59.94 -49.84 76.1 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.854 -1.154 . . . . 0.0 110.995 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.445 HG23 ' N ' ' B' ' 84' ' ' ALA . 14.7 m -59.86 -40.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 120.837 -1.164 . . . . 0.0 109.885 177.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.445 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.58 -25.54 68.01 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.467 -0.77 . . . . 0.0 109.164 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 52.7 t -69.07 -41.85 77.0 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.969 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.6 -40.38 91.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.839 -1.163 . . . . 0.0 108.894 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.6 -39.85 92.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.488 0.661 . . . . 0.0 109.735 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.519 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 64.6 t80 -77.53 -10.12 59.31 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.414 -0.804 . . . . 0.0 110.014 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.5 m-85 -91.0 -20.86 21.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.036 -1.04 . . . . 0.0 108.985 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -90.02 -11.77 40.55 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.348 -0.845 . . . . 0.0 109.995 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.519 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 19.0 pt-20 -61.28 -40.12 92.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.852 -1.155 . . . . 0.0 109.599 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -88.12 -0.52 57.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.178 -0.951 . . . . 0.0 109.219 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 55.9 m . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.292 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -98.4 126.38 43.91 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.143 -0.973 . . . . 0.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' X' X ' 3' ' ' THR . . . . . 0.566 ' OG1' ' N ' ' X' ' 4' ' ' LYS . 1.7 t -166.31 -142.19 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.055 -1.028 . . . . 0.0 109.016 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.566 ' N ' ' OG1' ' X' ' 3' ' ' THR . 21.0 pttp 38.98 -165.14 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.565 0.697 . . . . 0.0 111.362 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.521 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.7 pt -139.53 127.73 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' X' ' 4' ' ' LYS . 91.6 m-20 -110.9 17.56 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 121.972 0.891 . . . . 0.0 109.086 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.661 ' O ' HG22 ' X' ' 10' ' ' ILE . 84.6 t90 -64.3 -53.77 43.67 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.973 -1.079 . . . . 0.0 112.35 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.498 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 0.1 OUTLIER -51.9 -31.98 30.61 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.313 -2.117 . . . . 0.0 109.215 -178.605 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' X' ' 12' ' ' SER . 68.7 mttm -59.99 -22.94 63.21 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.661 HG22 ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -49.87 -38.66 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 44.2 tp -75.66 -33.15 60.42 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 176.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.559 ' N ' ' O ' ' X' ' 9' ' ' LYS . 28.0 t . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.051 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 93.3 m . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 49.96 -139.89 0.83 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.508 -0.745 . . . . 0.0 109.477 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . 0.471 HG23 ' O ' ' Y' ' 3' ' ' THR . 10.0 t -115.76 127.79 55.37 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.318 -0.864 . . . . 0.0 109.972 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.471 ' CD ' ' H ' ' Y' ' 4' ' ' LYS . 0.0 OUTLIER -74.64 -41.08 61.01 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.033 -1.042 . . . . 0.0 110.164 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -153.19 110.82 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.074 -1.016 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -139.11 11.46 2.6 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.686 ' O ' HG22 ' Y' ' 10' ' ' ILE . 38.8 t90 -58.29 -43.22 87.97 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.643 -0.661 . . . . 0.0 109.744 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -52.75 -30.37 32.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.854 -1.779 . . . . 0.0 107.189 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -56.13 -28.13 56.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.686 HG22 ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -50.56 -36.99 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 47.5 tp -64.73 -40.03 94.63 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.867 -179.577 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.712 0 N-CA-C 119.879 2.711 . . . . 0.0 119.879 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 m -81.04 154.73 26.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.031 -1.276 . . . . 0.0 109.172 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -46.57 -53.89 10.5 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.437 -0.79 . . . . 0.0 110.514 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.401 HD11 HG11 ' B' ' 78' ' ' VAL . 56.6 tp -66.94 -41.31 87.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.173 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -63.13 -40.34 97.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.333 -0.854 . . . . 0.0 109.468 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 10' ' ' THR . 30.0 m -48.07 -44.6 31.59 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.111 0.957 . . . . 0.0 109.394 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.39 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.036 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.7 ttt -69.84 -52.46 24.79 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.597 -1.314 . . . . 0.0 111.196 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -67.02 -29.61 69.48 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.141 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -60.56 -55.94 27.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 0.0 110.376 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.506 ' N ' HD12 ' A' ' 11' ' ' LEU . 8.4 mp -58.74 -35.91 73.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.7 -1.875 . . . . 0.0 110.255 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.87 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 120.754 -1.216 . . . . 0.0 112.598 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.28 -39.53 25.1 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 119.639 -1.913 . . . . 0.0 112.038 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.6 p -60.0 -42.55 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.479 -1.388 . . . . 0.0 108.794 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.507 ' N ' HG13 ' A' ' 14' ' ' VAL . 19.2 t80 -61.71 -40.09 93.83 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.283 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -61.63 -38.44 87.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.597 -1.315 . . . . 0.0 110.67 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.06 -55.74 30.84 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -80.08 -43.45 21.75 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -54.92 -28.21 49.17 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.78 11.21 25.32 Favored Glycine 0 N--CA 1.507 3.367 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.492 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 23' ' ' GLY . 66.9 mttm -123.18 -74.77 0.61 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 118.986 1.393 . . . . 0.0 108.512 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.32 21.05 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.245 -0.91 . . . . 0.0 111.095 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 179.81 -165.06 33.35 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 118.441 -1.838 . . . . 0.0 111.953 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -45.35 153.26 0.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.844 0.831 . . . . 0.0 110.608 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -52.22 -54.12 35.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.541 -0.724 . . . . 0.0 112.248 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -131.62 32.61 4.12 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.788 -1.195 . . . . 0.0 111.775 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -133.36 141.91 48.15 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.774 -1.204 . . . . 0.0 108.365 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -99.02 111.65 23.99 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.792 0.806 . . . . 0.0 110.248 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' LYS . 64.0 m -81.33 162.09 23.57 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.064 -1.647 . . . . 0.0 108.882 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' SER . 52.0 tttt -44.89 -30.75 1.05 Allowed 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -82.89 -29.56 29.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.619 -1.301 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.93 -42.14 73.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.801 -1.187 . . . . 0.0 109.745 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 34' ' ' LYS . 2.3 pp -62.99 -45.73 91.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.006 -1.059 . . . . 0.0 110.236 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.652 ' N ' HD12 ' A' ' 33' ' ' LEU . 75.9 tttt -62.06 -39.66 93.16 Favored 'General case' 0 C--O 1.197 -1.697 0 O-C-N 121.017 -1.052 . . . . 0.0 111.805 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 57.1 t0 -72.45 -39.54 67.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.806 -1.184 . . . . 0.0 110.502 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD11 HG22 ' A' ' 14' ' ' VAL . 63.0 tp -61.15 -50.72 72.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 110.467 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 2.8 mm? -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.003 0.906 . . . . 0.0 110.525 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.52 ' O ' ' CA ' ' A' ' 42' ' ' SER . 5.9 tt0 -65.81 -40.86 92.28 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.489 -0.757 . . . . 0.0 112.553 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.403 ' OG1' ' OD1' ' A' ' 35' ' ' ASP . 92.8 m -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.984 -1.073 . . . . 0.0 112.53 -174.041 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -94.5 -12.84 26.87 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.64 -1.287 . . . . 0.0 110.444 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.486 HD13 HD13 ' A' ' 45' ' ' LEU . 70.8 mt -131.85 34.09 3.9 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.52 ' CA ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -50.92 -59.55 4.02 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 p -75.68 -21.49 57.58 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.615 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.8 t80 -83.24 -104.22 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 O-C-N 119.974 -1.704 . . . . 0.0 110.798 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' A' ' 44' ' ' PHE . 7.1 mp -14.86 147.09 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.77 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.496 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.521 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 44.5 t0 -91.23 104.16 16.75 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-N 124.912 3.505 . . . . 0.0 108.89 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 1.1 m -140.86 -44.83 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 120.637 -1.29 . . . . 0.0 109.44 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.449 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 48.2 mt-30 -78.32 -59.27 2.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.687 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' HD2' ' H ' ' A' ' 49' ' ' LYS . 1.6 mptp? -49.74 -59.53 3.73 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.348 -0.845 . . . . 0.0 108.977 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 53' ' ' ALA . 97.0 m-20 -98.68 84.55 3.16 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 108.965 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.5 -26.37 12.86 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.13 -37.92 86.98 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.14 -38.61 80.09 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.091 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.52 -35.74 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.576 -1.327 . . . . 0.0 108.867 178.679 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.14 -39.96 86.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.174 -0.954 . . . . 0.0 110.766 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.925 -1.11 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.8 mt -67.65 -53.16 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' ASP . 24.6 ttt -60.04 -36.77 78.0 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.498 -0.751 . . . . 0.0 109.075 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.23 -48.86 80.03 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' OE2' ' C ' ' X' ' 12' ' ' SER . 96.0 mt-10 -60.23 -24.28 64.73 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.4 mt -91.57 -22.03 20.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.772 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.4 m-20 -74.49 44.46 0.21 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -60.32 -42.06 94.81 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.08 -19.32 58.67 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.88 34.92 51.88 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 107.443 -2.263 . . . . 0.0 107.443 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 32.4 p-10 -91.87 -8.98 44.96 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.647 -0.913 . . . . 0.0 111.644 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.94 88.13 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -136.2 176.6 8.55 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 t -125.95 127.72 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.761 -1.212 . . . . 0.0 108.697 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.2 t0 -95.97 152.96 18.04 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.502 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 32.0 t80 -48.96 -24.74 1.61 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.664 -0.648 . . . . 0.0 110.078 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 76' ' ' VAL . 79.1 mt-30 -74.48 -26.35 59.96 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.852 -1.155 . . . . 0.0 108.661 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ASP . 82.6 mt-10 -85.67 -45.52 11.61 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 109.958 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.32 -50.38 71.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.126 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.738 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.9 t -61.1 -38.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 72' ' ' GLN . 46.8 t -59.87 -39.75 80.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 120.817 -1.177 . . . . 0.0 108.721 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.708 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.1 tm? -63.22 -53.48 52.36 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 t -55.64 -38.07 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.848 -1.158 . . . . 0.0 109.204 -178.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.76 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -64.84 -37.92 89.25 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.389 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.44 -33.31 48.58 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.026 HD13 ' H ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -77.12 -39.33 49.79 Favored 'General case' 0 N--CA 1.515 2.783 0 O-C-N 118.835 -2.416 . . . . 0.0 109.37 -179.436 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . 1.026 ' H ' HD13 ' A' ' 81' ' ' LEU . 3.2 t -59.73 -43.14 94.33 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.238 -0.914 . . . . 0.0 110.835 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 8.6 m -59.93 -41.86 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.88 -28.17 69.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.0 t -67.92 -42.07 81.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.8 -40.62 88.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 108.756 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.39 -34.71 77.25 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.635 -0.666 . . . . 0.0 109.308 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 59.0 t80 -79.62 -9.46 59.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.392 -0.818 . . . . 0.0 110.195 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -94.21 -23.94 17.69 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.942 -1.099 . . . . 0.0 109.735 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -81.59 -11.58 59.08 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.218 -0.926 . . . . 0.0 109.747 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 18.1 pt-20 -70.65 149.68 46.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 108.671 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.1 m120 54.71 30.76 14.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.337 -0.852 . . . . 0.0 109.882 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.102 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.875 0 N-CA-C 119.302 2.481 . . . . 0.0 119.302 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -79.19 154.7 29.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.286 -1.126 . . . . 0.0 109.599 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -46.17 -55.14 7.48 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.497 -0.752 . . . . 0.0 110.377 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.425 HD11 HG11 ' A' ' 78' ' ' VAL . 56.4 tp -65.55 -42.0 92.37 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.238 -0.914 . . . . 0.0 109.067 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.04 -40.22 97.06 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.293 -0.88 . . . . 0.0 109.368 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.441 ' O ' ' OG1' ' B' ' 10' ' ' THR . 31.0 m -47.87 -44.52 29.39 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.223 1.011 . . . . 0.0 109.364 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.32 69.12 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.256 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ttt -69.98 -51.91 28.59 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.654 -1.279 . . . . 0.0 111.06 -177.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.29 -2.006 0 O-C-N 121.55 -0.718 . . . . 0.0 110.169 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -60.37 -56.19 24.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 110.487 -179.227 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.475 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.6 mp -57.78 -36.5 72.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 119.84 -1.788 . . . . 0.0 110.303 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.58 -39.6 84.28 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 120.97 -1.081 . . . . 0.0 112.688 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.12 -39.69 22.95 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.744 -1.847 . . . . 0.0 112.276 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.512 HG13 ' N ' ' B' ' 15' ' ' PHE . 10.7 p -59.97 -42.32 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.687 -1.258 . . . . 0.0 108.607 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.512 ' N ' HG13 ' B' ' 14' ' ' VAL . 27.1 t80 -61.94 -39.87 93.56 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -61.53 -39.12 89.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.738 -1.227 . . . . 0.0 110.442 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.93 -55.46 34.35 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -80.15 -43.19 22.06 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.022 -1.049 . . . . 0.0 111.515 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.6 t -55.06 -28.69 54.17 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.69 11.62 25.44 Favored Glycine 0 N--CA 1.506 3.311 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.329 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' B' ' 23' ' ' GLY . 67.0 mttm -123.26 -74.65 0.61 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.896 1.348 . . . . 0.0 108.534 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.54 20.41 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.064 -1.023 . . . . 0.0 110.947 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -178.84 -164.02 30.95 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 118.317 -1.896 . . . . 0.0 112.106 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -45.89 152.61 0.35 Allowed 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.605 0.717 . . . . 0.0 110.689 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -51.81 -54.18 31.71 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.476 -0.765 . . . . 0.0 111.91 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -131.13 31.44 4.42 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 120.759 -1.213 . . . . 0.0 112.206 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -132.3 142.12 49.24 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.892 -1.13 . . . . 0.0 108.305 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 tp -99.26 111.4 23.79 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.829 0.823 . . . . 0.0 109.942 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' LYS . 68.5 m -81.07 161.86 23.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.066 -1.646 . . . . 0.0 108.691 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 55.1 tttt -45.32 -30.13 1.21 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.823 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -82.79 -29.45 29.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.486 -1.383 . . . . 0.0 109.469 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.92 -41.66 74.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.815 -1.178 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.65 HD12 ' N ' ' B' ' 34' ' ' LYS . 2.4 pp -63.54 -45.36 90.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.172 -0.955 . . . . 0.0 110.036 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.65 ' N ' HD12 ' B' ' 33' ' ' LEU . 78.2 tttt -62.51 -39.78 94.62 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 120.851 -1.156 . . . . 0.0 111.782 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.421 ' OD1' ' OG1' ' B' ' 39' ' ' THR . 57.0 t0 -72.05 -38.99 69.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.95 -1.094 . . . . 0.0 110.63 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.417 HD11 HG22 ' B' ' 14' ' ' VAL . 62.8 tp -61.82 -51.76 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.713 0.768 . . . . 0.0 110.348 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.7 mm? -70.18 -40.02 74.92 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.893 0.854 . . . . 0.0 110.385 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.509 ' O ' ' CA ' ' B' ' 42' ' ' SER . 6.3 tt0 -66.86 -40.65 87.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.506 -0.746 . . . . 0.0 112.527 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.421 ' OG1' ' OD1' ' B' ' 35' ' ' ASP . 92.0 m -59.42 -50.53 73.6 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.945 -1.097 . . . . 0.0 112.746 -174.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -94.36 -13.58 26.23 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.618 -1.301 . . . . 0.0 110.503 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.439 HD13 HD13 ' B' ' 45' ' ' LEU . 68.1 mt -131.33 34.44 3.98 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.509 ' CA ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -51.21 -58.55 5.86 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.571 0.701 . . . . 0.0 110.648 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -76.59 -19.94 57.32 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' B' ' 44' ' ' PHE . 1.8 t80 -85.25 -90.81 0.1 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.125 -1.609 . . . . 0.0 112.419 -177.352 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.439 HD13 HD13 ' B' ' 41' ' ' LEU . 6.1 mp -38.6 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.035 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 41.5 t0 -90.82 102.82 15.58 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 123.01 2.641 . . . . 0.0 108.522 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 1.4 m -139.88 -44.57 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.842 -1.161 . . . . 0.0 109.213 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.437 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 46.0 mt-30 -79.07 -59.87 2.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.255 -0.903 . . . . 0.0 109.732 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.1 mptp? -49.63 -59.56 3.67 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.379 -0.826 . . . . 0.0 108.852 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -98.09 86.54 3.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.942 . . . . 0.0 108.952 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.9 -26.95 27.51 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.22 -38.95 88.46 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -58.21 -40.02 80.51 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.978 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.481 HG22 HD11 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.93 -35.43 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.341 -1.474 . . . . 0.0 108.962 179.268 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 94.4 m-20 -67.25 -39.8 86.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.25 -0.906 . . . . 0.0 110.965 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.85 -39.62 76.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.826 -1.171 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.0 mt -68.29 -53.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 110.394 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.469 ' O ' ' N ' ' B' ' 62' ' ' ASP . 24.4 ttt -60.07 -36.59 77.71 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -58.9 -48.99 79.48 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.9 -22.67 64.55 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.26 -0.9 . . . . 0.0 108.696 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' B' ' 63' ' ' GLU . 28.0 mt -92.38 -23.01 19.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.464 -0.772 . . . . 0.0 109.516 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -73.55 43.35 0.14 Allowed 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -59.89 -41.83 92.48 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -75.89 -19.73 58.6 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.47 35.4 52.1 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -91.42 -9.53 44.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.561 -0.964 . . . . 0.0 111.546 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.16 7.47 88.44 Favored Glycine 0 N--CA 1.497 2.717 0 N-CA-C 109.954 -1.259 . . . . 0.0 109.954 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -136.85 176.67 8.49 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -126.09 127.5 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 108.855 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 43.6 t0 -96.05 152.81 18.19 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.867 0.841 . . . . 0.0 108.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.519 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 29.5 t80 -48.71 -25.08 1.62 Allowed 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.573 -0.705 . . . . 0.0 110.258 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 76' ' ' VAL . 78.2 mt-30 -75.2 -25.03 57.9 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.761 -1.212 . . . . 0.0 108.54 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.3 mt-10 -86.17 -46.02 10.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.011 0.91 . . . . 0.0 109.727 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.41 -51.19 69.76 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.141 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.76 HG12 ' HB1' ' A' ' 79' ' ' ALA . 56.0 t -60.56 -38.12 77.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.289 -0.882 . . . . 0.0 110.012 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.4 t -60.17 -39.44 80.59 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.821 -1.174 . . . . 0.0 109.184 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.69 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.2 tm? -63.37 -54.03 43.29 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.244 -0.91 . . . . 0.0 112.395 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.519 ' O ' HG22 ' B' ' 82' ' ' THR . 1.5 t -54.9 -39.03 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.948 -1.095 . . . . 0.0 109.499 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.738 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -64.38 -38.66 91.8 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.071 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.19 -34.0 56.26 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 1.018 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -76.89 -38.88 52.76 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.811 -2.43 . . . . 0.0 109.743 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . 1.018 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.4 t -60.07 -42.0 93.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.469 -0.769 . . . . 0.0 110.85 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 12.8 m -60.78 -42.19 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.425 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.43 -29.11 70.17 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.76 -41.55 87.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.558 -0.714 . . . . 0.0 109.763 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.24 -40.38 90.06 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.187 -0.946 . . . . 0.0 108.833 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.0 -34.77 78.27 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.642 0.734 . . . . 0.0 109.299 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 56.8 t80 -79.08 -10.06 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.368 -0.832 . . . . 0.0 110.294 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -93.8 -24.33 17.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.951 -1.093 . . . . 0.0 109.75 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -81.72 -10.13 59.45 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.15 -0.969 . . . . 0.0 109.735 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 17.5 pt-20 -71.7 149.62 45.3 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 33.1 m120 54.37 31.48 14.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.324 -0.86 . . . . 0.0 109.826 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.053 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' X' X ' 1' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 44.8 p . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.408 ' N ' ' OG1' ' X' ' 1' ' ' THR . 72.8 mmt-85 -63.92 -42.24 97.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 0.0 109.623 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 28.8 p -144.16 -44.44 0.26 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.919 . . . . 0.0 108.819 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.437 ' H ' ' HE3' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -76.66 160.2 29.58 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' X' ' 7' ' ' TRP . 43.2 pt -79.11 -31.61 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.392 -0.817 . . . . 0.0 111.539 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 4.7 p-10 41.99 17.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.115 -0.99 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.61 ' O ' HG22 ' X' ' 10' ' ' ILE . 31.9 t90 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.566 -1.334 . . . . 0.0 109.98 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.672 ' OD1' HD11 ' A' ' 81' ' ' LEU . 33.3 t-20 -51.26 -29.88 16.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.458 -1.402 . . . . 0.0 108.629 -179.799 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.433 ' O ' ' OXT' ' X' ' 12' ' ' SER . 73.6 tttt -60.0 -30.23 69.0 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.61 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.4 tt -49.01 -38.44 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 30.9 tp -67.84 -42.02 82.06 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.296 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.433 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 8.9 t . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 52.77 -165.95 0.07 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.41 -0.806 . . . . 0.0 109.656 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 32.5 p -137.69 128.88 27.67 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.438 ' H ' ' HG2' ' Y' ' 4' ' ' LYS . 18.9 pttt -61.52 -51.76 67.3 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.048 -1.033 . . . . 0.0 110.603 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -145.13 128.98 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.603 -1.311 . . . . 0.0 108.208 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -139.76 18.54 2.5 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.7 ' O ' HG22 ' Y' ' 10' ' ' ILE . 2.0 p-90 -60.49 -43.51 96.92 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.269 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 19.8 t30 -51.37 -39.69 57.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 119.726 -1.859 . . . . 0.0 108.894 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -60.2 -22.96 63.61 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.7 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -52.55 -36.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.39 -40.07 89.43 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.765 -179.437 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.801 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -74.26 157.19 36.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.249 -1.148 . . . . 0.0 109.379 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -45.48 -51.81 11.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.171 -0.956 . . . . 0.0 110.817 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.539 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.7 tt -68.73 -40.21 80.0 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.914 -1.116 . . . . 0.0 108.957 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.18 -39.32 86.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -0.977 . . . . 0.0 108.999 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 10' ' ' THR . 79.2 m -56.29 -49.52 74.03 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.89 0.852 . . . . 0.0 110.177 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -28.35 69.25 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.019 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -70.12 -50.09 44.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.676 -1.265 . . . . 0.0 110.364 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.9 -28.29 65.5 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.499 -0.75 . . . . 0.0 110.239 -177.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.39 -59.85 4.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.997 -1.064 . . . . 0.0 108.942 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -47.19 -39.46 13.97 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.328 -1.483 . . . . 0.0 109.289 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -69.14 -24.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.229 -0.919 . . . . 0.0 110.406 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 10' ' ' THR . 95.5 m-20 -79.58 -54.21 6.11 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.003 -1.061 . . . . 0.0 112.588 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.2 p -65.87 -46.49 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.546 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.8 t80 -60.62 -40.15 90.82 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 121.352 -0.842 . . . . 0.0 109.835 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.576 -1.327 . . . . 0.0 109.722 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.01 -56.8 17.39 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.32 -40.18 64.68 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.926 -1.109 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 p -67.67 -22.89 65.27 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.33 0.93 40.27 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.694 -1.254 . . . . 0.0 112.359 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.579 ' C ' ' H ' ' A' ' 23' ' ' GLY . 56.1 mtmt -124.4 -67.0 0.94 Allowed 'General case' 0 N--CA 1.502 2.125 0 CA-C-N 119.052 1.426 . . . . 0.0 109.407 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.2 17.73 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.116 -0.99 . . . . 0.0 109.96 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 178.39 -172.73 45.18 Favored Glycine 0 N--CA 1.487 2.07 0 C-N-CA 119.081 -1.533 . . . . 0.0 111.449 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 39.8 t0 -38.78 154.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 69.8 mttt -59.95 -48.12 83.01 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 113.052 -176.368 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -122.71 29.75 6.73 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 120.289 -1.507 . . . . 0.0 111.939 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -139.64 147.96 41.77 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.625 -1.297 . . . . 0.0 110.153 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 15' ' ' PHE . 3.4 tp -92.85 153.98 18.51 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.846 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.598 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.8 t -128.38 156.21 43.49 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' SER . 23.4 tptm -43.17 -35.45 1.38 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.669 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -83.29 -27.2 29.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.083 -1.636 . . . . 0.0 110.697 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.598 ' HB2' ' H ' ' A' ' 29' ' ' SER . 52.4 mt-10 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.828 -1.17 . . . . 0.0 110.059 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -62.09 -43.26 99.22 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.775 -1.203 . . . . 0.0 108.837 178.464 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HZ3' ' HB3' ' A' ' 48' ' ' GLN . 5.2 tmtt? -57.65 -45.1 85.93 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.93 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -76.53 -28.88 56.51 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.905 -1.122 . . . . 0.0 110.922 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD11 HG22 ' A' ' 14' ' ' VAL . 57.6 tp -62.26 -50.11 73.01 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.774 -1.203 . . . . 0.0 110.141 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 37' ' ' LEU . 10.8 mp -77.45 -40.64 42.57 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.162 0.982 . . . . 0.0 111.864 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -67.74 -40.0 84.18 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 122.042 0.925 . . . . 0.0 110.072 -177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.5 m -60.38 -49.96 75.5 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.271 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -101.58 -21.25 14.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.201 -0.937 . . . . 0.0 111.972 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.64 HD13 HD23 ' A' ' 45' ' ' LEU . 89.5 mt -133.62 64.16 1.61 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.864 -1.148 . . . . 0.0 110.44 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 p -74.21 -42.56 59.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.282 -0.886 . . . . 0.0 109.911 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 59.5 p -70.76 -41.58 71.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.3 -0.875 . . . . 0.0 112.016 -178.281 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.598 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 t80 -88.18 -107.47 0.07 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.555 -1.341 . . . . 0.0 111.09 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.64 HD23 HD13 ' A' ' 41' ' ' LEU . 3.2 mm? -7.13 128.49 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.542 0 CA-C-O 114.834 -2.508 . . . . 0.0 108.853 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 1.3 m-20 -91.3 118.73 30.75 Favored 'General case' 0 N--CA 1.517 2.919 1 CA-C-N 128.002 4.91 . . . . 0.0 110.051 178.239 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.475 HG23 ' N ' ' A' ' 48' ' ' GLN . 10.7 m -146.37 -41.2 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.315 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.506 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 17.2 pt20 -98.39 -40.33 8.35 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.049 -1.032 . . . . 0.0 111.433 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' A' ' 43' ' ' SER . 51.7 mtmt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.227 -0.921 . . . . 0.0 109.245 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -139.72 86.67 2.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.602 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -30.06 39.44 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -40.1 88.21 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.12 -41.22 96.32 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 118.806 -1.157 . . . . 0.0 109.598 -178.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -36.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.862 -1.149 . . . . 0.0 109.209 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -68.83 -40.02 79.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.023 -1.048 . . . . 0.0 111.272 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.95 -40.12 91.06 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.471 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.7 -53.52 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.562 -0.711 . . . . 0.0 111.274 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.97 81.76 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 110.964 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.9 90.65 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -65.5 -26.92 68.12 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.5 mt -85.27 -33.1 22.23 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.372 -0.83 . . . . 0.0 109.567 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -69.96 57.88 0.15 Allowed 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' LEU . 45.7 mt-10 -60.13 -39.72 87.28 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -70.41 -23.79 62.81 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.79 40.97 7.41 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 33.3 p-10 -99.02 -122.08 0.14 Allowed 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.635 1.217 . . . . 0.0 108.167 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -157.16 21.48 0.43 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -136.22 176.56 8.58 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.78 137.54 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.528 -1.358 . . . . 0.0 108.917 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 34.3 t0 -97.6 167.99 10.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.364 -0.835 . . . . 0.0 109.734 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.607 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.2 t80 -59.94 -35.48 75.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.595 -0.69 . . . . 0.0 109.414 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.532 ' HA ' HG11 ' B' ' 83' ' ' VAL . 62.8 tt0 -70.04 -24.22 63.23 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.861 -1.15 . . . . 0.0 109.904 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.499 ' O ' HD22 ' A' ' 61' ' ' LEU . 49.1 mt-10 -83.59 -53.63 5.52 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.552 -0.718 . . . . 0.0 110.574 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -32.47 65.98 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.191 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.9 t -60.04 -39.7 81.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 120.98 -1.075 . . . . 0.0 108.558 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -59.79 -40.08 81.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.412 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.713 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.2 tm? -62.49 -50.03 73.05 Favored 'General case' 0 N--CA 1.509 2.485 0 O-C-N 121.507 -0.746 . . . . 0.0 112.862 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 m -59.95 -32.92 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 120.176 -1.578 . . . . 0.0 109.853 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.89 -39.34 79.79 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.766 0.793 . . . . 0.0 110.022 178.053 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.49 -23.92 56.84 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.243 -0.91 . . . . 0.0 112.767 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.672 HD11 ' OD1' ' X' ' 8' ' ' ASN . 1.0 OUTLIER -84.41 -41.56 16.55 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 119.812 -1.805 . . . . 0.0 109.977 -179.708 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 83' ' ' VAL . 1.7 t -52.91 -47.18 68.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.756 -1.215 . . . . 0.0 109.178 178.221 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.539 HG12 ' CD2' ' B' ' 71' ' ' PHE . 13.8 m -59.89 -40.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.208 -0.933 . . . . 0.0 110.051 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' CZ2' ' X' ' 7' ' ' TRP . . . -60.23 -25.57 65.74 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -69.94 -38.83 76.3 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 108.945 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.419 ' OD1' ' CE2' ' B' ' 71' ' ' PHE . 22.5 m120 -59.93 -36.3 76.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -59.99 -38.93 84.01 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.65 36.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.348 -0.845 . . . . 0.0 109.224 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.512 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 62.2 t80 -79.53 -10.96 59.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.938 -1.101 . . . . 0.0 109.193 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -58.77 -24.78 62.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.946 . . . . 0.0 108.475 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -59.87 -38.56 82.53 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 93' ' ' SER . 35.7 m120 -78.91 -4.33 49.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.385 -0.822 . . . . 0.0 109.479 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 92' ' ' ASN . 8.9 t . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.09 -0.957 . . . . 0.0 109.447 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.928 0 N-CA-C 119.511 2.564 . . . . 0.0 119.511 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t -74.09 157.27 36.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.209 -1.171 . . . . 0.0 109.342 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -45.86 -51.57 12.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.531 HD23 ' O ' ' B' ' 4' ' ' LEU . 2.7 tt -68.74 -40.03 80.05 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.898 -1.126 . . . . 0.0 109.066 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.16 -39.35 86.08 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.095 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 10' ' ' THR . 82.9 m -56.24 -49.45 74.13 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.804 0.811 . . . . 0.0 110.166 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.2 69.13 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.135 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.33 -50.23 41.29 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.661 -1.274 . . . . 0.0 110.498 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.84 -28.52 65.75 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.15 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -62.05 -59.99 4.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.996 -1.065 . . . . 0.0 109.076 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' B' ' 10' ' ' THR . 9.1 mp -47.09 -39.71 13.77 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.185 -1.572 . . . . 0.0 109.295 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.97 -24.87 28.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.193 -0.942 . . . . 0.0 110.497 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 10' ' ' THR . 95.4 m-20 -79.63 -54.1 6.21 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.971 -1.08 . . . . 0.0 112.575 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.551 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.1 p -65.78 -46.54 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.411 -0.806 . . . . 0.0 110.914 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.551 ' N ' HG13 ' B' ' 14' ' ' VAL . 1.6 t80 -60.69 -40.1 90.92 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.418 -0.801 . . . . 0.0 109.94 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.18 -39.65 87.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.478 -1.389 . . . . 0.0 109.672 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.0 14.76 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.13 -40.56 64.82 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.889 -1.132 . . . . 0.0 110.783 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.0 p -67.21 -22.96 65.69 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.31 0.91 40.33 Favored Glycine 0 N--CA 1.506 3.347 0 O-C-N 120.773 -1.204 . . . . 0.0 112.38 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.566 ' C ' ' H ' ' B' ' 23' ' ' GLY . 55.6 mtmt -124.41 -67.0 0.94 Allowed 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 119.087 1.444 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.96 17.25 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.119 -0.988 . . . . 0.0 109.919 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 178.73 -172.54 44.85 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.153 -1.499 . . . . 0.0 111.459 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 40.0 t0 -38.99 154.5 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.271 0.558 . . . . 0.0 109.733 -179.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.537 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 69.5 mttt -59.9 -48.11 83.04 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 113.037 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.59 29.53 6.86 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.226 -1.546 . . . . 0.0 112.078 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -139.4 147.48 41.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.593 -1.317 . . . . 0.0 110.184 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.2 tp -92.31 154.0 18.86 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.86 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.597 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.2 t -128.44 156.19 43.59 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -43.11 -35.43 1.33 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.063 -1.023 . . . . 0.0 111.767 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -83.06 -27.57 30.17 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.109 -1.619 . . . . 0.0 110.727 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.597 ' HB2' ' H ' ' B' ' 29' ' ' SER . 53.0 mt-10 -70.87 -40.35 72.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.736 -1.228 . . . . 0.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -62.34 -42.92 99.78 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.712 -1.243 . . . . 0.0 108.939 178.45 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.522 ' HZ3' ' HB3' ' B' ' 48' ' ' GLN . 4.1 tmtt? -57.32 -45.51 84.16 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.862 -176.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.1 m-20 -76.42 -28.93 56.82 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.922 -1.111 . . . . 0.0 110.98 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.27 -49.97 73.56 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.813 -1.18 . . . . 0.0 110.141 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.526 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.9 mp -77.6 -40.65 41.36 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.114 0.959 . . . . 0.0 111.822 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -67.69 -40.02 84.39 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 122.179 0.99 . . . . 0.0 110.083 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 73.9 m -60.53 -49.86 75.86 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.684 -0.806 . . . . 0.0 111.253 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -101.55 -21.03 14.83 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.132 -0.98 . . . . 0.0 111.983 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.616 HD13 HD23 ' B' ' 45' ' ' LEU . 88.4 mt -133.76 63.95 1.62 Allowed 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.786 -1.196 . . . . 0.0 110.454 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.5 p -74.04 -42.4 60.32 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.204 -0.935 . . . . 0.0 109.937 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.3 p -71.23 -40.62 70.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.117 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.5 t80 -89.4 -94.5 0.11 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.796 -1.19 . . . . 0.0 112.232 -178.062 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.616 HD23 HD13 ' B' ' 41' ' ' LEU . 2.5 mm? -29.84 136.17 0.04 OUTLIER 'General case' 0 N--CA 1.52 3.038 0 CA-C-O 116.898 -1.525 . . . . 0.0 107.615 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 2.7 m-20 -91.24 117.68 29.84 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 124.894 3.497 . . . . 0.0 109.661 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 48' ' ' GLN . 11.1 m -146.87 -40.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.104 -0.997 . . . . 0.0 110.149 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.522 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 17.2 pt20 -98.46 -40.23 8.37 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.02 -1.05 . . . . 0.0 111.432 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -62.18 -27.41 68.95 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 109.197 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -139.7 86.79 2.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -29.94 38.96 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.97 -39.85 87.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.86 -42.81 98.6 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 118.866 -1.134 . . . . 0.0 109.121 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -36.01 64.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 120.761 -1.212 . . . . 0.0 109.384 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -68.84 -40.03 79.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.876 -1.14 . . . . 0.0 111.257 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -66.02 -39.99 90.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.929 -1.107 . . . . 0.0 110.536 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.405 HG12 HD21 ' Y' ' 8' ' ' ASN . 1.6 mp -70.95 -53.39 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.6 -0.688 . . . . 0.0 111.098 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.905 -1.122 . . . . 0.0 111.051 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.67 90.3 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -66.58 -24.49 66.35 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 63' ' ' GLU . 49.4 mt -87.15 -33.18 19.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -69.91 57.73 0.15 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' B' ' 61' ' ' LEU . 45.4 mt-10 -59.8 -40.01 86.89 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -70.29 -24.02 62.96 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.07 40.87 7.32 Favored Glycine 0 N--CA 1.482 1.756 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' B' ' 67' ' ' GLY . 33.5 p-10 -99.06 -122.46 0.15 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 118.603 1.202 . . . . 0.0 108.21 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 66' ' ' ASP . . . -156.74 21.64 0.46 Allowed Glycine 0 N--CA 1.498 2.82 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.24 176.53 8.61 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.46 137.85 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.489 -1.382 . . . . 0.0 108.964 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 33.7 t0 -97.86 167.92 10.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 109.68 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.614 ' O ' HG23 ' B' ' 75' ' ' VAL . 43.3 t80 -59.97 -35.42 74.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.478 -0.764 . . . . 0.0 109.452 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.524 ' HA ' HG11 ' A' ' 83' ' ' VAL . 62.9 tt0 -70.07 -24.19 63.2 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.941 -1.099 . . . . 0.0 109.854 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.503 ' O ' HD22 ' B' ' 61' ' ' LEU . 49.2 mt-10 -83.68 -53.83 5.36 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.503 -0.748 . . . . 0.0 110.396 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -32.4 66.01 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.091 -1.005 . . . . 0.0 111.187 -178.198 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 71' ' ' PHE . 54.3 t -59.79 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 121.042 -1.036 . . . . 0.0 108.445 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.0 t -59.8 -39.9 81.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 C-N-CA 119.041 -1.063 . . . . 0.0 108.403 178.437 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.712 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.2 tm? -62.42 -50.11 72.79 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 121.481 -0.762 . . . . 0.0 112.937 -178.457 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.0 -33.1 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.231 -1.543 . . . . 0.0 109.779 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -69.0 -39.3 79.41 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.719 0.771 . . . . 0.0 110.056 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -75.29 -23.83 57.43 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 112.653 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.595 ' CD2' HD13 ' B' ' 45' ' ' LEU . 1.0 OUTLIER -85.04 -41.19 16.01 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 119.838 -1.789 . . . . 0.0 109.839 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.412 HG23 ' N ' ' B' ' 83' ' ' VAL . 1.7 t -52.93 -46.98 68.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.644 -1.285 . . . . 0.0 109.161 178.111 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 71' ' ' PHE . 13.4 m -60.05 -40.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.163 -0.96 . . . . 0.0 110.234 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.518 ' HB3' ' CZ3' ' Y' ' 7' ' ' TRP . . . -60.28 -25.54 65.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 108.922 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.37 -38.52 74.76 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.659 -0.817 . . . . 0.0 108.963 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.449 ' OD1' ' CE2' ' A' ' 71' ' ' PHE . 22.4 m120 -59.77 -36.21 76.21 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.01 -38.88 83.96 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.52 36.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.509 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 63.8 t80 -79.67 -10.97 59.87 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.946 -1.096 . . . . 0.0 109.125 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -58.89 -24.62 62.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 108.466 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -60.03 -38.44 82.72 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' B' ' 93' ' ' SER . 35.8 m120 -78.98 -4.25 49.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.433 -0.792 . . . . 0.0 109.467 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.428 ' O ' ' O ' ' B' ' 92' ' ' ASN . 8.7 t . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.322 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -138.06 159.08 42.96 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.459 -0.776 . . . . 0.0 109.353 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 43.2 p 51.02 44.39 28.6 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.311 -0.868 . . . . 0.0 109.177 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.425 ' H ' ' HG2' ' X' ' 4' ' ' LYS . 38.9 pttt -102.71 1.82 34.94 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.325 0.583 . . . . 0.0 109.483 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.557 HG23 ' O ' ' X' ' 5' ' ' ILE . 14.6 tt -133.11 73.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 CA-C-O 122.027 0.918 . . . . 0.0 108.65 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -90.71 1.03 57.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.589 -1.32 . . . . 0.0 108.415 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.673 ' O ' HG22 ' X' ' 10' ' ' ILE . 62.5 t90 -59.93 -50.05 75.27 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.574 -0.704 . . . . 0.0 110.357 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' X' ' 5' ' ' ILE . 6.6 p30 -51.29 -37.31 46.71 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.017 -1.677 . . . . 0.0 108.73 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' X' ' 12' ' ' SER . 50.7 tttp -59.06 -24.2 62.68 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.673 HG22 ' O ' ' X' ' 7' ' ' TRP . 10.0 tt -51.12 -35.52 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 tp -66.96 -40.03 87.4 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.43 ' N ' ' O ' ' X' ' 9' ' ' LYS . 6.4 t . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 118.132 -0.937 . . . . 0.0 109.338 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -80.06 160.01 25.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.112 -0.993 . . . . 0.0 110.019 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . 0.459 ' H ' HG22 ' Y' ' 3' ' ' THR . 0.5 OUTLIER -80.05 135.74 36.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.354 -0.841 . . . . 0.0 109.843 -179.57 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -153.2 -20.09 0.15 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -0.818 . . . . 0.0 109.076 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.505 ' O ' HG23 ' Y' ' 5' ' ' ILE . 8.1 tt -137.56 111.46 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.582 -0.699 . . . . 0.0 109.449 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -129.09 4.14 5.28 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.678 ' O ' HG22 ' Y' ' 10' ' ' ILE . 65.9 t90 -59.95 -50.0 75.45 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.138 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -51.1 -38.01 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 119.917 -1.739 . . . . 0.0 108.647 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -58.19 -23.21 54.71 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.678 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -53.47 -38.79 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 30.2 tp -62.09 -43.43 98.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.501 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.555 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.815 0 N-CA-C 119.481 2.552 . . . . 0.0 119.481 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -65.05 32.72 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.18 -1.188 . . . . 0.0 110.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 1' ' ' GLY . 81.3 mt-10 -59.93 -43.55 94.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.963 -1.086 . . . . 0.0 109.927 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.98 -46.24 90.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.839 -1.163 . . . . 0.0 108.994 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.64 -39.78 92.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.161 -0.962 . . . . 0.0 109.921 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -54.27 -41.67 69.09 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.025 0.917 . . . . 0.0 109.386 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.97 68.78 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.7 mmm -77.3 -44.33 30.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.265 -1.522 . . . . 0.0 110.104 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -72.31 -29.98 64.35 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.381 -0.824 . . . . 0.0 110.797 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.5 t -70.29 -54.64 11.81 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.753 -1.217 . . . . 0.0 109.604 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -44.37 -39.77 4.89 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.312 -1.493 . . . . 0.0 107.754 177.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -62.65 -38.56 81.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.222 -0.924 . . . . 0.0 109.14 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' THR . 28.2 m120 -67.7 -54.13 21.98 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.973 -1.079 . . . . 0.0 112.663 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 15' ' ' PHE . 6.1 m -60.7 -49.6 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.776 -1.202 . . . . 0.0 110.611 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.617 ' N ' HG23 ' A' ' 14' ' ' VAL . 16.5 m-85 -60.92 -40.03 91.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.25 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 120.397 -1.44 . . . . 0.0 109.823 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -55.13 37.98 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.52 -41.31 21.87 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.812 -1.18 . . . . 0.0 111.668 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' ASP . 54.0 p -60.05 -29.53 68.6 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.01 9.4 43.23 Favored Glycine 0 N--CA 1.506 3.361 0 O-C-N 120.628 -1.295 . . . . 0.0 111.886 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 23' ' ' GLY . 96.3 mttt -122.29 -71.5 0.73 Allowed 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 118.799 1.3 . . . . 0.0 109.841 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -70.61 34.15 0.04 OUTLIER 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.855 -1.153 . . . . 0.0 109.536 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 168.45 -171.05 42.51 Favored Glycine 0 N--CA 1.488 2.102 0 C-N-CA 119.509 -1.329 . . . . 0.0 110.799 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 58.5 t0 -39.76 149.26 0.06 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 122.21 -0.582 . . . . 0.0 109.873 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 24.1 pttm -59.26 -38.71 80.76 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 77.3 t80 -134.56 34.29 3.22 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.004 -1.685 . . . . 0.0 111.097 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -142.31 147.94 37.19 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.389 1.09 . . . . 0.0 108.819 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.93 153.82 18.55 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.546 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 16.3 t -129.79 161.82 29.85 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' SER . 53.0 tptt -45.19 -35.29 3.17 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -85.1 -28.03 25.87 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.147 -1.595 . . . . 0.0 111.5 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.5 mt-10 -71.62 -39.94 70.12 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.251 -1.53 . . . . 0.0 110.401 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.0 pp -63.37 -45.79 89.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.999 -1.063 . . . . 0.0 109.942 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.611 ' N ' HD12 ' A' ' 33' ' ' LEU . 55.8 tttt -60.43 -40.05 89.68 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 59.5 t0 -76.47 -36.8 57.67 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.195 . . . . 0.0 111.809 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.88 -47.76 84.43 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 120.982 -1.073 . . . . 0.0 111.046 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 74' ' ' PHE . 82.0 mt -75.78 -40.63 54.85 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -66.05 -39.61 90.27 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.079 0.943 . . . . 0.0 111.885 -176.712 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 94.3 m -53.45 -44.23 68.71 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.6 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' B' ' 1' ' ' GLY . 92.9 mt-10 -102.25 -21.32 14.37 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.391 -0.818 . . . . 0.0 111.079 -178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.07 67.31 1.5 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.906 -1.121 . . . . 0.0 109.902 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -79.99 -24.27 40.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.182 -0.949 . . . . 0.0 110.025 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -85.05 -28.84 25.4 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.082 -1.011 . . . . 0.0 112.508 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' O ' ' C ' ' A' ' 45' ' ' LEU . 21.6 t80 -109.92 -110.14 0.33 Allowed 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.806 -1.184 . . . . 0.0 112.615 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -4.16 120.46 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.118 0 CA-C-O 115.374 -2.251 . . . . 0.0 109.973 177.481 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.698 ' O ' HG13 ' A' ' 47' ' ' VAL . 33.9 p-10 -75.67 141.18 42.8 Favored 'General case' 0 N--CA 1.51 2.539 1 CA-C-N 127.94 4.882 . . . . 0.0 112.759 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 46' ' ' ASP . 2.6 m -166.85 -53.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 49' ' ' LYS . 96.6 mt-30 -100.37 -71.43 0.7 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.836 -1.165 . . . . 0.0 113.096 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.535 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -31.83 -60.06 0.26 Allowed 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.114 -177.641 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -99.97 94.62 6.38 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.2 81.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.293 -0.879 . . . . 0.0 109.468 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -59.38 -37.61 78.4 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.69 97.72 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.39 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -34.7 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.493 -1.38 . . . . 0.0 108.503 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 56.0 t0 -60.81 -39.94 90.85 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.537 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -69.61 -40.09 76.84 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.044 -1.035 . . . . 0.0 110.93 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.03 -55.72 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.218 -0.927 . . . . 0.0 110.571 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.05 -36.77 78.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.485 -0.759 . . . . 0.0 109.463 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -60.06 -46.1 90.65 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.02 -23.11 63.43 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 63' ' ' GLU . 47.1 mt -92.55 -26.74 17.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 70.2 m-20 -74.92 49.98 0.44 Allowed 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 61' ' ' LEU . 41.1 mt-10 -60.06 -40.77 90.62 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.429 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -74.52 -23.31 58.8 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.79 40.45 14.73 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.886 -2.085 . . . . 0.0 107.886 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -98.73 -7.96 26.84 Favored 'General case' 0 N--CA 1.512 2.626 0 O-C-N 121.495 -1.003 . . . . 0.0 111.924 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.12 7.42 88.47 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 120.883 -1.136 . . . . 0.0 110.473 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -133.55 176.26 8.7 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.13 135.04 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.489 -1.382 . . . . 0.0 108.591 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -95.97 167.22 11.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.969 . . . . 0.0 109.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.599 ' O ' HG23 ' A' ' 75' ' ' VAL . 39.2 t80 -59.99 -31.28 69.76 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.565 ' HA ' HG11 ' B' ' 83' ' ' VAL . 63.5 tt0 -72.48 -25.21 61.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.862 -1.149 . . . . 0.0 110.312 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' O ' HD22 ' A' ' 61' ' ' LEU . 76.2 mt-10 -81.04 -52.35 7.5 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.425 -0.797 . . . . 0.0 110.205 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.654 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -75.07 -32.38 61.47 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.714 -178.111 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.736 HG12 ' HB1' ' B' ' 79' ' ' ALA . 43.6 t -57.96 -39.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 72' ' ' GLN . 67.2 t -59.98 -40.01 81.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.28 -0.887 . . . . 0.0 109.119 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.696 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.2 tm? -62.51 -54.12 44.69 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.269 -0.895 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -51.42 -34.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.299 -1.501 . . . . 0.0 108.993 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.719 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -65.36 -39.12 91.92 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.722 0.772 . . . . 0.0 109.433 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.73 -30.52 51.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD12 HD11 ' A' ' 77' ' ' LEU . 55.2 mt -78.28 -43.04 29.17 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 119.244 -2.16 . . . . 0.0 110.625 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.563 HG23 ' N ' ' A' ' 83' ' ' VAL . 6.9 t -58.46 -43.27 88.82 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.055 -1.028 . . . . 0.0 110.99 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.563 ' N ' HG23 ' A' ' 82' ' ' THR . 11.5 m -59.7 -40.1 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.065 -1.022 . . . . 0.0 109.1 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -62.61 -25.7 68.23 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.91 -42.94 47.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.387 -0.821 . . . . 0.0 110.632 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.96 -46.74 88.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.141 -0.974 . . . . 0.0 110.096 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.12 -0.988 . . . . 0.0 109.754 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.527 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 67.2 t80 -86.43 -2.64 58.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.387 -0.821 . . . . 0.0 109.791 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -85.24 -29.49 24.6 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -88.38 -10.06 50.59 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.283 -0.886 . . . . 0.0 110.485 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.2 -39.96 94.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.871 -1.143 . . . . 0.0 109.641 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -91.03 -1.62 57.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.061 -1.025 . . . . 0.0 109.428 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.494 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.556 ' C ' ' H ' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.501 2.56 . . . . 0.0 119.501 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -65.19 32.67 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.304 -1.115 . . . . 0.0 110.363 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.556 ' H ' ' C ' ' B' ' 1' ' ' GLY . 81.7 mt-10 -60.04 -43.34 95.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.009 -1.057 . . . . 0.0 109.95 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.08 -46.34 89.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.919 -1.113 . . . . 0.0 108.933 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.55 -39.86 92.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.113 -0.992 . . . . 0.0 109.959 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -54.22 -41.66 68.93 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.097 0.951 . . . . 0.0 109.361 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.44 -29.6 68.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.5 mmm -77.67 -44.11 29.13 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.253 -1.529 . . . . 0.0 110.13 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.55 -29.95 64.01 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.346 -0.846 . . . . 0.0 110.665 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.5 t -70.17 -54.7 11.73 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.812 -1.18 . . . . 0.0 109.643 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.2 mp -44.43 -39.66 4.9 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.529 -1.357 . . . . 0.0 107.692 177.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.81 -38.34 81.53 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 109.124 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 10' ' ' THR . 28.1 m120 -67.82 -54.1 21.7 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.039 -1.038 . . . . 0.0 112.678 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.616 HG23 ' N ' ' B' ' 15' ' ' PHE . 6.9 m -60.66 -49.55 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.788 -1.195 . . . . 0.0 110.656 -178.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.616 ' N ' HG23 ' B' ' 14' ' ' VAL . 16.8 m-85 -60.91 -40.07 91.75 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.314 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -40.01 87.63 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.382 -1.448 . . . . 0.0 109.845 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -55.05 38.75 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -81.46 -41.37 21.89 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.859 -1.151 . . . . 0.0 111.612 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.0 p -60.04 -29.62 68.64 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.08 9.58 43.11 Favored Glycine 0 N--CA 1.505 3.242 0 O-C-N 120.516 -1.365 . . . . 0.0 111.878 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' B' ' 23' ' ' GLY . 96.2 mttt -122.42 -71.57 0.72 Allowed 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 118.761 1.28 . . . . 0.0 109.804 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -70.49 34.05 0.04 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.799 -1.188 . . . . 0.0 109.638 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 168.64 -170.91 42.54 Favored Glycine 0 N--CA 1.488 2.107 0 C-N-CA 119.575 -1.298 . . . . 0.0 110.781 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 58.0 t0 -39.78 149.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 122.156 -0.614 . . . . 0.0 109.808 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 24.7 pttm -59.46 -38.81 81.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 76.5 t80 -134.18 34.06 3.33 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.026 -1.671 . . . . 0.0 111.13 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -142.31 147.75 36.88 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 122.366 1.079 . . . . 0.0 108.868 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.94 153.84 18.53 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.565 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.1 t -129.95 161.87 29.91 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -45.1 -35.34 3.04 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -85.1 -27.97 25.91 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.099 -1.626 . . . . 0.0 111.374 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.565 ' HB2' ' H ' ' B' ' 29' ' ' SER . 48.9 mt-10 -71.6 -39.95 70.15 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.166 -1.584 . . . . 0.0 110.377 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.595 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.9 pp -63.43 -45.72 89.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.934 -1.104 . . . . 0.0 109.979 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.595 ' N ' HD12 ' B' ' 33' ' ' LEU . 55.2 tttt -60.46 -39.96 89.47 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.44 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 59.5 t0 -76.66 -36.72 57.17 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.855 -1.153 . . . . 0.0 111.821 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.05 -47.63 85.08 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 120.849 -1.157 . . . . 0.0 111.013 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' B' ' 74' ' ' PHE . 80.5 mt -75.85 -40.69 54.25 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -177.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' B' ' 39' ' ' THR . 0.0 OUTLIER -65.9 -39.64 90.8 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.103 0.954 . . . . 0.0 111.846 -176.67 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.5 m -53.6 -44.22 69.23 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.507 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 1' ' ' GLY . 93.0 mt-10 -102.15 -21.36 14.42 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.389 -0.819 . . . . 0.0 111.051 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 mt -135.02 67.1 1.51 Allowed 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.929 -1.107 . . . . 0.0 109.925 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -79.95 -24.25 41.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.268 -0.895 . . . . 0.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 71.1 m -85.21 -28.86 25.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.982 -1.074 . . . . 0.0 112.471 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.576 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.6 t80 -109.91 -95.91 0.41 Allowed 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.542 HD23 HD13 ' B' ' 37' ' ' LEU . 0.9 OUTLIER -28.9 128.74 0.08 Allowed 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 117.123 -1.417 . . . . 0.0 109.317 -174.534 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.676 ' O ' HG13 ' B' ' 47' ' ' VAL . 33.7 p-10 -76.04 139.59 41.51 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 124.965 3.53 . . . . 0.0 112.444 -177.666 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 46' ' ' ASP . 2.4 m -166.23 -52.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' B' ' 49' ' ' LYS . 96.6 mt-30 -100.33 -71.64 0.7 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.52 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -31.75 -60.24 0.25 Allowed 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.645 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -99.76 94.62 6.43 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -38.37 82.51 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.229 -0.919 . . . . 0.0 109.442 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.43 -37.63 78.58 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.36 93.13 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.129 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -34.79 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.525 -1.359 . . . . 0.0 108.575 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.432 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 56.5 t0 -60.74 -39.89 90.37 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 121.036 -1.04 . . . . 0.0 109.644 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -69.45 -40.13 77.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 110.975 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.0 -55.71 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.255 -0.903 . . . . 0.0 110.648 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.97 -36.8 77.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.49 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -59.99 -46.62 88.86 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.99 -21.43 61.26 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' B' ' 63' ' ' GLU . 49.1 mt -94.36 -26.57 16.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.71 -0.619 . . . . 0.0 110.252 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 71.1 m-20 -75.09 49.92 0.46 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' LEU . 41.2 mt-10 -60.05 -40.84 90.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.428 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.47 -23.37 58.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.85 40.48 14.49 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.918 -2.073 . . . . 0.0 107.918 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -98.76 -8.08 26.56 Favored 'General case' 0 N--CA 1.511 2.596 0 O-C-N 121.497 -1.002 . . . . 0.0 111.917 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.91 8.11 88.0 Favored Glycine 0 N--CA 1.502 3.042 0 O-C-N 121.008 -1.058 . . . . 0.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -134.11 176.27 8.73 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.18 135.14 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.51 -1.369 . . . . 0.0 108.546 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -95.89 167.2 11.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.596 ' O ' HG23 ' B' ' 75' ' ' VAL . 39.2 t80 -59.98 -31.18 69.66 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.561 ' HA ' HG11 ' A' ' 83' ' ' VAL . 63.6 tt0 -72.7 -25.1 61.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.873 -1.142 . . . . 0.0 110.276 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.416 ' O ' HD22 ' B' ' 61' ' ' LEU . 76.5 mt-10 -81.24 -52.28 7.5 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.373 -0.829 . . . . 0.0 110.157 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' B' ' 37' ' ' LEU . 0.9 OUTLIER -75.04 -32.33 61.53 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.99 -1.084 . . . . 0.0 111.701 -178.164 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.719 HG12 ' HB1' ' A' ' 79' ' ' ALA . 41.9 t -57.95 -39.59 72.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 72' ' ' GLN . 69.8 t -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.136 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.691 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.2 tm? -62.63 -54.08 44.91 Favored 'General case' 0 N--CA 1.511 2.6 0 O-C-N 121.318 -0.863 . . . . 0.0 112.43 -178.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -51.36 -34.08 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 120.271 -1.518 . . . . 0.0 109.032 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.736 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -65.36 -39.55 92.46 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.632 0.729 . . . . 0.0 109.356 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.64 54.09 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.556 HD12 HD11 ' B' ' 77' ' ' LEU . 55.4 mt -78.3 -42.95 29.27 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 119.237 -2.164 . . . . 0.0 110.689 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.567 HG23 ' N ' ' B' ' 83' ' ' VAL . 6.6 t -58.62 -43.3 89.6 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.993 -1.067 . . . . 0.0 110.961 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.567 ' N ' HG23 ' B' ' 82' ' ' THR . 10.7 m -59.59 -39.97 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.086 -1.009 . . . . 0.0 109.204 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.418 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -62.92 -25.59 68.4 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.85 -42.8 48.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.646 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -60.05 -46.76 88.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.059 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.01 -39.99 87.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 67.1 t80 -86.45 -2.73 58.7 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.84 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -85.16 -29.46 24.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.941 . . . . 0.0 109.719 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -88.39 -10.08 50.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.259 -0.9 . . . . 0.0 110.516 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.22 -39.99 94.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.01 -1.056 . . . . 0.0 109.701 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -90.98 -1.65 57.8 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.036 -1.04 . . . . 0.0 109.387 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.496 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' X' X ' 1' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 3.0 t . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.541 ' N ' ' OG1' ' X' ' 1' ' ' THR . 88.4 mtm-85 -61.72 -39.91 93.19 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.224 -0.923 . . . . 0.0 110.068 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 70.3 p -148.89 89.85 1.71 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.104 -0.997 . . . . 0.0 108.952 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.493 ' HD3' ' H ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -60.28 -40.1 89.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.171 -0.955 . . . . 0.0 109.565 -179.198 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 tt -159.89 115.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.924 -1.11 . . . . 0.0 110.232 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -129.36 5.84 5.25 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.702 ' O ' HG22 ' X' ' 10' ' ' ILE . 77.0 t90 -60.1 -49.24 78.43 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.128 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' X' ' 7' ' ' TRP . 49.5 t30 -50.02 -35.46 24.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 119.877 -1.765 . . . . 0.0 108.748 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' X' ' 12' ' ' SER . 7.7 ttmm -59.36 -24.18 63.16 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.702 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.8 tt -51.35 -37.66 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 86.1 mt -63.49 -39.36 94.25 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.419 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.4 p . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.544 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 90.5 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.28 0.562 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' Y' ' 3' ' ' THR . 48.0 mmm-85 -99.94 118.47 36.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.321 -0.862 . . . . 0.0 109.394 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . 0.405 ' O ' ' O ' ' Y' ' 2' ' ' ARG . 70.8 p 40.42 92.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.549 -0.719 . . . . 0.0 110.632 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -78.44 146.32 34.57 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.32 -0.863 . . . . 0.0 109.666 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.1 pt -120.38 124.25 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-O 121.506 0.67 . . . . 0.0 109.747 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -105.72 11.22 32.36 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 122.527 1.156 . . . . 0.0 108.427 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.645 ' O ' HG22 ' Y' ' 10' ' ' ILE . 76.5 t90 -59.93 -48.74 80.47 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.408 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' Y' ' 8' ' ' ASN . 1.5 t-20 -51.29 -30.95 19.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.242 -1.536 . . . . 0.0 108.94 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' Y' ' 12' ' ' SER . 7.2 ttpm? -59.42 -27.04 65.67 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.645 HG22 ' O ' ' Y' ' 7' ' ' TRP . 11.5 tt -51.32 -34.23 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.545 HD13 ' O ' ' Y' ' 11' ' ' LEU . 0.3 OUTLIER -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . 0.523 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 5.7 t . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 117.997 -1.002 . . . . 0.0 109.62 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.955 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -80.06 163.46 24.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.084 -1.245 . . . . 0.0 108.663 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.507 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 42.7 mp0 -56.38 -50.02 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.067 . . . . 0.0 110.002 -177.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.55 -40.29 94.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.045 -1.035 . . . . 0.0 109.036 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -66.37 -35.1 79.47 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.078 -1.014 . . . . 0.0 109.724 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -44.35 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.396 -0.815 . . . . 0.0 110.025 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -70.62 -29.69 66.14 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -69.98 -48.81 56.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.374 -1.454 . . . . 0.0 110.221 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.9 -31.21 68.88 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.687 -0.633 . . . . 0.0 110.553 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -67.42 -56.68 8.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.777 -1.202 . . . . 0.0 110.063 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.2 mp -46.97 -39.3 12.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.277 -1.515 . . . . 0.0 108.59 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.1 -38.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.516 -0.74 . . . . 0.0 110.88 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -78.51 -43.64 26.4 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 119.967 -1.708 . . . . 0.0 112.587 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 15' ' ' PHE . 10.7 m -60.03 -42.92 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.497 -1.377 . . . . 0.0 109.486 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 14' ' ' VAL . 6.2 t80 -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.889 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.06 -39.27 85.44 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.596 -1.315 . . . . 0.0 109.16 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.81 17.4 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 60.9 m80 -75.2 -46.39 34.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.906 -1.121 . . . . 0.0 111.702 -178.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 24' ' ' ASP . 47.2 t -54.05 -27.98 35.79 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.0 10.57 40.52 Favored Glycine 0 N--CA 1.505 3.253 0 O-C-N 120.857 -1.152 . . . . 0.0 110.561 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.8 ttmm -125.07 -78.24 0.6 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -1.123 . . . . 0.0 109.604 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.37 43.36 0.06 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.647 -1.283 . . . . 0.0 109.879 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . 177.79 -144.5 6.6 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.304 -1.427 . . . . 0.0 110.795 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' SER . 96.1 m-20 -83.69 169.01 15.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.641 -0.917 . . . . 0.0 109.015 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -56.89 -48.97 76.94 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 111.983 -177.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.482 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 37.5 t80 -133.39 36.02 3.41 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 120.62 -1.3 . . . . 0.0 111.614 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -135.66 142.49 45.16 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.4 tp -94.58 100.26 12.26 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 32' ' ' GLU . 43.3 t -69.85 157.91 36.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.744 -1.222 . . . . 0.0 110.014 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.88 -36.73 1.6 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -78.4 -23.48 46.74 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.633 -1.292 . . . . 0.0 109.03 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' SER . 7.5 mm-40 -73.37 -42.44 62.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.003 -1.061 . . . . 0.0 110.615 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.4 pp -60.59 -43.07 97.79 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.582 -1.324 . . . . 0.0 108.296 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' HD12 ' A' ' 33' ' ' LEU . 71.8 tttt -63.64 -40.15 96.15 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.435 -177.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.63 -40.54 66.35 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.05 -1.031 . . . . 0.0 111.058 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.423 HD23 ' CE2' ' A' ' 74' ' ' PHE . 57.0 tp -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.517 -0.739 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD21 ' CE2' ' A' ' 74' ' ' PHE . 92.3 mt -78.04 -43.03 30.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.44 -0.787 . . . . 0.0 113.042 -178.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' C ' ' H ' ' A' ' 40' ' ' GLU . 9.1 pt20 -69.63 -40.14 76.72 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.287 -0.883 . . . . 0.0 111.741 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 39' ' ' THR . 28.9 m -60.76 11.08 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.753 -0.592 . . . . 0.0 111.811 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 38' ' ' GLN . 82.6 mt-10 -156.83 -47.34 0.07 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.664 -1.273 . . . . 0.0 110.371 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.462 HD13 HD13 ' A' ' 45' ' ' LEU . 24.6 mt -105.03 43.31 1.12 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 85.3 p -60.11 -47.34 86.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.481 0.657 . . . . 0.0 110.697 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.8 m -67.58 -39.87 84.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.335 -0.853 . . . . 0.0 111.455 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 45' ' ' LEU . 12.6 t80 -89.25 -102.36 0.09 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.88 -1.137 . . . . 0.0 112.564 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.583 ' C ' ' O ' ' A' ' 44' ' ' PHE . 4.1 mp -12.19 133.86 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.217 0 CA-C-O 115.377 -2.249 . . . . 0.0 109.312 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -88.89 112.54 23.4 Favored 'General case' 0 N--CA 1.522 3.139 1 CA-C-N 127.137 4.517 . . . . 0.0 110.435 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.7 t -135.8 -84.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.359 -0.838 . . . . 0.0 109.841 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -61.93 -40.11 94.36 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.363 0.601 . . . . 0.0 111.635 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 12.3 mtmm -60.56 -28.84 68.76 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -141.22 93.02 2.53 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.22 68.95 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.93 -39.06 84.21 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.13 91.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.167 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -34.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.481 -1.387 . . . . 0.0 109.198 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.68 -40.1 94.81 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.892 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.79 -40.36 76.06 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.07 -1.019 . . . . 0.0 111.06 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.78 -53.79 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.334 -0.854 . . . . 0.0 109.532 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 ttt -60.06 -34.97 74.16 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.32 95.31 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.94 -27.08 68.89 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.395 -0.815 . . . . 0.0 108.967 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 63' ' ' GLU . 46.9 mt -88.47 -29.68 19.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.15 -0.969 . . . . 0.0 110.106 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -68.86 49.01 0.07 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 61' ' ' LEU . 90.3 mt-10 -60.23 -39.6 87.25 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.12 -20.58 63.17 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.24 32.95 Favored Glycine 0 N--CA 1.48 1.585 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 29.1 p-10 -92.08 -126.15 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 66' ' ' ASP . . . -149.35 16.7 1.14 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -138.87 175.83 9.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.654 -1.497 . . . . 0.0 108.347 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -123.93 134.39 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -98.26 167.2 11.01 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.36 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.559 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 21.9 t80 -59.96 -34.75 73.69 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 109.702 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.5 pt20 -69.46 -23.03 63.6 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.621 -1.299 . . . . 0.0 108.873 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -85.86 -50.33 7.2 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.755 0.788 . . . . 0.0 110.022 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 37' ' ' LEU . 62.3 t80 -60.53 -45.16 94.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.404 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.709 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.0 t -60.64 -40.03 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.033 -1.042 . . . . 0.0 109.393 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 72' ' ' GLN . 49.1 t -59.41 -39.91 80.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.806 -1.184 . . . . 0.0 109.419 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.705 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.3 tm? -66.57 -54.7 20.78 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 121.077 -1.014 . . . . 0.0 112.657 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' HG22 ' A' ' 82' ' ' THR . 21.4 m -55.12 -31.05 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.364 -1.46 . . . . 0.0 109.258 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -71.74 -37.38 70.57 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-O 121.566 0.698 . . . . 0.0 109.712 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.6 -26.79 45.49 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -176.336 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.057 HD13 ' H ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.85 -39.6 26.24 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.412 -2.055 . . . . 0.0 108.99 179.616 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . 1.057 ' H ' HD13 ' A' ' 81' ' ' LEU . 3.0 t -59.66 -43.92 93.75 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.844 -1.16 . . . . 0.0 110.966 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 84' ' ' ALA . 17.9 m -59.99 -44.62 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 120.766 -1.209 . . . . 0.0 110.017 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.485 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -63.04 -26.71 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.522 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 24.7 t -70.38 -38.66 74.74 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.45 -40.56 91.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.409 -0.807 . . . . 0.0 109.083 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.841 . . . . 0.0 110.19 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 58.9 t80 -79.08 -4.58 50.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.292 -0.88 . . . . 0.0 109.766 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 2.9 m-85 -90.68 -1.15 57.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.228 -0.92 . . . . 0.0 109.434 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.03 -40.31 88.88 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.692 -1.255 . . . . 0.0 108.215 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -40.2 94.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.736 -0.603 . . . . 0.0 109.803 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 89' ' ' PHE . 50.9 p30 -93.47 0.79 56.88 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.986 -1.072 . . . . 0.0 109.85 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 89' ' ' PHE . 63.2 m . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.502 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.893 0 N-CA-C 119.337 2.495 . . . . 0.0 119.337 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p -80.06 162.87 24.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.157 -1.202 . . . . 0.0 108.716 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 44.2 mp0 -56.19 -50.33 71.53 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.892 -1.13 . . . . 0.0 109.944 -177.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.27 -39.95 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.944 -1.097 . . . . 0.0 108.983 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -66.12 -35.88 81.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 109.555 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.86 -44.0 94.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 110.408 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -70.15 -30.47 67.63 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -70.18 -48.4 57.39 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.398 -1.439 . . . . 0.0 110.24 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.98 -31.08 68.6 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.699 -0.626 . . . . 0.0 110.532 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.68 -56.93 7.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.052 -179.494 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -46.7 -38.77 10.36 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.457 -1.402 . . . . 0.0 108.707 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.2 mt -67.5 -38.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.416 -0.802 . . . . 0.0 111.134 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -78.09 -44.33 26.52 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.158 -1.589 . . . . 0.0 112.38 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.573 HG23 ' N ' ' B' ' 15' ' ' PHE . 10.6 m -59.91 -42.93 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.521 -1.362 . . . . 0.0 109.452 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.573 ' N ' HG23 ' B' ' 14' ' ' VAL . 6.2 t80 -63.54 -40.12 96.17 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.977 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -39.38 85.71 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.6 -1.312 . . . . 0.0 109.173 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.71 18.66 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.445 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 62.3 m80 -75.12 -46.73 32.55 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.727 -1.233 . . . . 0.0 111.573 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -53.5 -28.05 28.84 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.29 10.36 39.46 Favored Glycine 0 N--CA 1.506 3.332 0 O-C-N 120.764 -1.21 . . . . 0.0 110.599 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 23' ' ' GLY . 19.6 ttmm -124.9 -78.35 0.6 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.306 -1.114 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.401 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -70.07 43.06 0.06 Allowed 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.693 -1.254 . . . . 0.0 110.358 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . 177.87 -144.41 6.54 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -83.67 169.58 15.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.572 -0.958 . . . . 0.0 108.947 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.96 -49.17 76.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 111.972 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 37.5 t80 -133.27 35.53 3.46 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.516 -1.365 . . . . 0.0 111.62 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -135.44 142.42 45.58 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.8 tp -94.09 99.64 11.9 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.558 ' O ' ' N ' ' B' ' 32' ' ' GLU . 33.7 t -70.03 158.22 36.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.492 -1.38 . . . . 0.0 110.016 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.89 -37.05 1.7 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.374 -0.829 . . . . 0.0 110.012 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -77.98 -23.27 48.45 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 108.936 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' B' ' 29' ' ' SER . 7.3 mm-40 -73.55 -42.27 61.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.022 -1.049 . . . . 0.0 110.644 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.13 -42.07 97.87 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.365 -1.459 . . . . 0.0 108.413 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.31 -40.08 95.19 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.105 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.23 -40.36 67.82 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.209 -0.932 . . . . 0.0 111.17 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' B' ' 74' ' ' PHE . 57.3 tp -63.39 -41.77 98.79 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.583 -0.698 . . . . 0.0 110.605 -178.136 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.459 HD21 ' CE2' ' B' ' 74' ' ' PHE . 92.6 mt -78.19 -43.26 29.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' B' ' 40' ' ' GLU . 10.8 pt20 -69.68 -40.02 76.62 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 121.987 0.898 . . . . 0.0 111.558 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.613 ' O ' HG22 ' B' ' 39' ' ' THR . 31.8 m -60.7 10.76 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.722 -0.611 . . . . 0.0 111.987 -176.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' B' ' 38' ' ' GLN . 82.8 mt-10 -156.61 -47.27 0.07 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.679 -1.263 . . . . 0.0 110.144 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.44 HD13 HD13 ' B' ' 45' ' ' LEU . 24.5 mt -105.2 43.47 1.11 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.522 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 96.6 p -60.14 -46.44 89.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.48 0.657 . . . . 0.0 110.606 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.5 m -68.4 -39.99 81.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.337 -0.852 . . . . 0.0 111.418 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' B' ' 45' ' ' LEU . 14.4 t80 -90.15 -87.98 0.18 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.964 -1.085 . . . . 0.0 113.831 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' B' ' 44' ' ' PHE . 3.5 mp -35.53 141.0 0.09 Allowed 'General case' 0 N--CA 1.514 2.771 0 CA-C-O 117.211 -1.376 . . . . 0.0 107.945 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.7 t0 -88.59 110.88 21.27 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 124.471 3.305 . . . . 0.0 110.02 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 75.0 t -135.48 -83.43 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-O 121.739 0.78 . . . . 0.0 109.891 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -62.26 -40.56 96.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.587 -0.696 . . . . 0.0 111.638 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.2 mtmm -60.36 -28.56 68.28 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -141.63 93.13 2.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.47 -30.88 68.84 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.0 -39.1 84.62 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.14 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.039 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -34.38 56.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 120.247 -1.533 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.63 -40.27 95.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.822 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.78 -40.0 76.31 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.133 -0.979 . . . . 0.0 111.051 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.8 -53.55 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -60.12 -35.39 75.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.358 -0.839 . . . . 0.0 110.455 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -42.94 95.65 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.95 -24.29 67.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 109.398 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' B' ' 63' ' ' GLU . 44.3 mt -91.34 -28.79 17.5 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -69.4 48.83 0.08 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.8 mt-10 -59.94 -39.63 86.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -70.12 -20.21 63.19 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.09 33.12 33.67 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' B' ' 67' ' ' GLY . 29.1 p-10 -92.61 -126.59 0.09 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' B' ' 66' ' ' ASP . . . -148.42 15.64 1.27 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.68 176.47 8.67 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.716 -1.461 . . . . 0.0 108.529 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t -124.35 134.8 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.903 . . . . 0.0 109.03 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.0 t0 -98.59 167.39 10.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.692 0.758 . . . . 0.0 109.623 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.554 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 20.7 t80 -59.8 -35.44 74.68 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.5 -0.75 . . . . 0.0 109.743 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -68.98 -22.75 64.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.595 -1.315 . . . . 0.0 108.853 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -86.11 -50.12 7.25 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.7 0.762 . . . . 0.0 110.097 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.459 ' CE2' HD21 ' B' ' 37' ' ' LEU . 65.1 t80 -60.42 -45.81 92.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.633 . . . . 0.0 111.482 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.709 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.1 t -60.22 -40.1 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.981 -1.074 . . . . 0.0 109.616 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.36 -39.86 80.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.023 -1.048 . . . . 0.0 109.526 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.683 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.4 tm? -66.84 -54.43 22.53 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 112.599 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.422 ' O ' HG22 ' B' ' 82' ' ' THR . 27.4 m -55.28 -30.92 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.284 -1.51 . . . . 0.0 109.435 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -72.27 -36.46 69.02 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-O 121.667 0.746 . . . . 0.0 109.67 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.79 -27.39 44.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 1.028 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -80.7 -39.25 27.44 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.404 -2.06 . . . . 0.0 109.254 179.707 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . 1.028 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.2 t -59.92 -43.39 94.93 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.955 -1.091 . . . . 0.0 110.859 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 84' ' ' ALA . 17.8 m -60.28 -45.05 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.966 -1.084 . . . . 0.0 110.037 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.48 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -62.85 -26.71 68.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.534 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 25.6 t -70.17 -38.73 75.5 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.52 -40.45 91.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.446 -0.784 . . . . 0.0 109.075 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -60.3 -40.26 89.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 110.071 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 62.9 t80 -79.03 -4.58 50.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.334 -0.854 . . . . 0.0 109.881 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.534 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.0 m-85 -90.64 -1.05 57.88 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.418 -0.801 . . . . 0.0 109.48 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 32.2 t90 -60.11 -40.88 91.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.833 -1.167 . . . . 0.0 108.164 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.74 -39.93 94.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.635 -0.666 . . . . 0.0 109.801 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 50.3 p30 -93.56 0.86 56.79 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.011 -1.056 . . . . 0.0 109.897 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.472 ' N ' ' O ' ' B' ' 89' ' ' PHE . 63.5 m . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.163 -0.923 . . . . 0.0 109.279 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' X' X ' 1' ' ' THR . . . . . 0.454 ' O ' ' O ' ' X' ' 2' ' ' ARG . 7.1 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' X' ' 1' ' ' THR 1.217 28.3 ttt-85 85.85 111.49 0.05 OUTLIER 'General case' 2 N--CA 1.655 9.779 2 C-N-CA 102.789 -7.564 . . . . 0.0 113.527 -179.379 . . . . . . . . 5 3 . 1 . 009 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 16.8 m 53.11 66.47 1.22 Allowed 'General case' 0 N--CA 1.493 1.7 1 CA-C-N 131.582 6.537 . . . . 0.0 110.003 165.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.61 ' H ' ' CD ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -84.06 -26.14 29.29 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.481 -0.762 . . . . 0.0 109.272 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 0.3 OUTLIER -150.72 -73.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.619 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.403 ' H ' HG23 ' X' ' 5' ' ' ILE . 94.5 m-20 41.75 19.19 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.166 -0.959 . . . . 0.0 110.469 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' X' ' 5' ' ' ILE . 30.8 t90 -64.71 -50.06 68.41 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.231 -0.918 . . . . 0.0 110.727 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.479 ' CG ' HD11 ' A' ' 57' ' ' ILE . 20.8 t-20 -50.88 -32.68 21.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.49 -1.381 . . . . 0.0 108.669 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -60.05 -28.39 67.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.55 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.1 tt -51.27 -39.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.42 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 64.0 tp -60.59 -42.68 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.356 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -70.08 -30.01 67.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.132 -0.98 . . . . 0.0 109.62 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.93 117.49 34.27 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.713 0.768 . . . . 0.0 109.725 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.456 ' C ' HG23 ' Y' ' 5' ' ' ILE . 92.9 mttt -105.26 140.28 38.63 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.533 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER 50.61 96.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 122.503 1.144 . . . . 0.0 108.389 -179.443 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -100.12 18.09 19.51 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.399 -1.438 . . . . 0.0 108.806 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.608 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.4 t90 -59.97 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.71 -0.619 . . . . 0.0 111.906 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.539 ' CG ' HD11 ' B' ' 57' ' ' ILE . 40.3 t-20 -51.55 -37.23 48.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 119.932 -1.73 . . . . 0.0 108.777 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.38 -25.4 65.85 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.608 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.7 tt -51.32 -39.92 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 57.2 tp -66.11 -42.16 89.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.629 178.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.27 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.268 2.467 . . . . 0.0 119.268 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.411 ' OG ' ' OE1' ' A' ' 5' ' ' GLU . 50.7 m -80.0 156.42 27.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -1.165 . . . . 0.0 109.433 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 4' ' ' LEU . 14.5 pt-20 -44.53 -52.71 7.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.374 -0.829 . . . . 0.0 110.525 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 7.3 mt -70.61 -39.97 73.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.007 -1.058 . . . . 0.0 110.095 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 44.8 mt-10 -63.67 -30.69 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.09 -1.006 . . . . 0.0 109.228 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -45.68 92.04 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.975 0.893 . . . . 0.0 109.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.05 -29.63 67.81 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.418 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ttt -71.65 -48.66 46.29 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.427 -1.42 . . . . 0.0 110.322 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.96 -34.71 73.76 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.63 -0.669 . . . . 0.0 111.228 -176.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 11' ' ' LEU . 4.1 t -66.55 -55.59 14.76 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.914 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.534 ' N ' HG23 ' A' ' 10' ' ' THR . 6.9 mp -48.66 -41.82 32.63 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.397 -1.44 . . . . 0.0 109.036 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.85 -39.95 87.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.223 -0.923 . . . . 0.0 111.786 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 83.7 m-20 -77.42 -45.07 26.98 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 119.867 -1.77 . . . . 0.0 112.572 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.5 p -60.02 -43.54 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.617 -1.302 . . . . 0.0 110.004 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.661 ' CE2' HD13 ' A' ' 28' ' ' LEU . 5.4 t80 -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.568 -1.333 . . . . 0.0 110.284 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.94 -56.94 11.06 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -83.27 -39.69 20.52 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.05 -1.031 . . . . 0.0 111.418 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 14.9 m -61.6 -33.48 73.97 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.41 12.64 61.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 120.646 -1.284 . . . . 0.0 111.29 -177.357 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -121.37 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.988 . . . . 0.0 109.161 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -91.74 17.22 9.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.935 -1.103 . . . . 0.0 111.177 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -167.76 -157.05 10.53 Favored Glycine 0 N--CA 1.497 2.738 0 C-N-CA 118.459 -1.829 . . . . 0.0 112.424 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.06 143.6 54.21 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.768 0.795 . . . . 0.0 110.924 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -50.47 -60.04 3.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 112.286 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -105.42 14.9 28.05 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.973 -1.079 . . . . 0.0 112.591 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -137.16 144.59 43.02 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.683 -1.261 . . . . 0.0 109.197 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.661 HD13 ' CE2' ' A' ' 15' ' ' PHE . 2.4 tp -92.69 170.31 9.82 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.873 0.844 . . . . 0.0 109.99 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.523 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.7 m -131.26 160.81 33.81 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' SER . 6.4 tptp -44.23 -39.84 4.72 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.801 -1.187 . . . . 0.0 111.355 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -78.79 -33.29 46.44 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.037 -1.665 . . . . 0.0 110.891 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' H ' ' A' ' 29' ' ' SER . 85.9 mt-10 -71.65 -39.96 70.01 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.208 -1.558 . . . . 0.0 111.204 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.5 pp -59.29 -45.66 90.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.483 -1.386 . . . . 0.0 108.806 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.684 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.0 tttt -60.01 -39.92 87.47 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.426 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.98 -41.53 92.18 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.042 . . . . 0.0 111.195 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.2 mm? -61.58 -36.14 79.82 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.948 -1.095 . . . . 0.0 110.341 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.8 mp -75.25 -52.09 11.72 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.795 -1.191 . . . . 0.0 111.434 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' A' ' 48' ' ' GLN . 12.9 pt20 -77.48 -18.72 56.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.12 -0.987 . . . . 0.0 113.586 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 40' ' ' GLU . 1.3 t -54.57 -47.2 73.55 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 117.345 -1.742 . . . . 0.0 108.927 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 75.5 mm-40 -114.77 -38.34 3.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.341 -0.849 . . . . 0.0 111.459 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 45' ' ' LEU . 48.7 mt -93.5 40.36 1.07 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.944 -1.098 . . . . 0.0 109.506 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -60.0 -50.06 75.24 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.594 0.712 . . . . 0.0 110.546 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.8 t -81.02 -23.57 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.565 -0.709 . . . . 0.0 111.772 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.629 ' O ' ' O ' ' A' ' 45' ' ' LEU . 3.5 t80 -84.81 -102.61 0.05 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.341 -1.475 . . . . 0.0 110.579 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.629 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mp -13.61 150.11 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.908 0 CA-C-O 117.446 -1.264 . . . . 0.0 110.715 174.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -95.14 102.16 13.95 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 124.126 3.148 . . . . 0.0 109.601 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -146.1 -56.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 O-C-N 120.164 -1.585 . . . . 0.0 109.013 178.174 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 75.7 mm-40 -70.05 -40.47 75.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.958 -1.089 . . . . 0.0 109.97 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.62 -25.11 62.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -135.11 88.42 2.42 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.32 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.97 -38.44 82.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.531 ' O ' HD13 ' A' ' 57' ' ' ILE . . . -55.53 -37.58 68.13 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.142 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -39.96 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.195 -1.566 . . . . 0.0 108.186 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.43 -41.53 98.78 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.974 -1.079 . . . . 0.0 111.98 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.83 -39.98 87.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.401 -1.437 . . . . 0.0 109.895 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 53' ' ' ALA . 1.4 mp -70.0 -53.06 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.422 0.63 . . . . 0.0 111.313 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.1 ttt -60.14 -39.96 88.17 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.061 -1.024 . . . . 0.0 111.515 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 8.6 mmpt? -60.91 -41.05 95.36 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -24.93 64.83 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 63' ' ' GLU . 25.3 mt -92.27 -25.21 18.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.456 -0.777 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.461 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 86.9 m-20 -72.63 44.83 0.13 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.53 -1.356 . . . . 0.0 107.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.5 mt-10 -59.93 -40.07 87.66 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.12 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.533 HD21 ' CG ' ' A' ' 66' ' ' ASP . 52.3 p30 -77.27 -12.38 59.94 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 70.89 32.41 66.46 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.533 ' CG ' HD21 ' A' ' 64' ' ' ASN . 48.4 p-10 -93.82 -6.58 45.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.194 -1.18 . . . . 0.0 111.563 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.44 14.95 69.96 Favored Glycine 0 N--CA 1.501 2.993 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -136.42 171.9 13.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.7 t -124.21 126.43 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 O-C-N 120.523 -1.36 . . . . 0.0 110.398 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.5 t0 -93.09 150.49 20.48 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -43.25 -39.76 3.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.192 -177.523 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -61.93 -35.01 77.13 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.317 -1.49 . . . . 0.0 109.365 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 76' ' ' VAL . 53.9 mt-10 -76.55 -43.63 38.26 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.971 0.891 . . . . 0.0 111.02 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -69.76 -45.53 67.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.353 -0.842 . . . . 0.0 111.439 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.667 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -63.36 -30.69 50.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 O-C-N 121.424 -0.798 . . . . 0.0 110.566 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -64.17 -33.61 63.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.714 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.3 tm? -70.24 -55.5 9.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.803 -0.561 . . . . 0.0 111.855 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 78' ' ' VAL . 1.3 t -60.03 -44.74 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 122.148 0.975 . . . . 0.0 109.028 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -59.96 -40.51 89.3 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.729 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.8 -24.87 59.88 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -83.22 -49.11 9.77 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 119.846 -1.784 . . . . 0.0 109.706 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 83' ' ' VAL . 2.0 t -48.16 -47.04 35.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.036 -1.04 . . . . 0.0 110.045 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 84' ' ' ALA . 16.8 m -60.08 -41.67 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.976 -1.077 . . . . 0.0 109.762 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.453 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -59.97 -27.3 66.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.441 -0.787 . . . . 0.0 109.091 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.24 -40.97 74.13 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.638 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.06 -40.27 88.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.544 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.33 -40.02 89.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.299 -0.875 . . . . 0.0 110.423 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.01 -7.96 59.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.118 -0.989 . . . . 0.0 109.514 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.2 -20.04 45.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 108.686 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 90' ' ' TRP . 77.7 t90 -77.54 -6.63 54.3 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.62 147.95 52.55 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 55.0 31.53 16.27 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.649 -0.657 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.57 -179.434 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.426 2.531 . . . . 0.0 119.426 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.441 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 50.6 m -79.82 156.28 27.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.208 -1.172 . . . . 0.0 109.51 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 4' ' ' LEU . 14.9 pt-20 -44.41 -52.6 7.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 110.605 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.413 ' N ' ' CG ' ' B' ' 3' ' ' GLU . 7.1 mt -70.74 -40.02 72.99 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.928 -1.108 . . . . 0.0 110.117 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.42 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 44.3 mt-10 -63.55 -30.85 71.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.981 -1.075 . . . . 0.0 109.199 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -45.52 92.49 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.968 0.889 . . . . 0.0 109.736 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.44 67.07 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -71.89 -48.29 46.73 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.412 -1.43 . . . . 0.0 110.21 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.03 -34.55 73.4 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.617 -0.677 . . . . 0.0 111.294 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.531 HG23 ' N ' ' B' ' 11' ' ' LEU . 4.1 t -66.74 -55.56 14.45 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.771 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.531 ' N ' HG23 ' B' ' 10' ' ' THR . 6.8 mp -48.78 -41.76 33.54 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.492 -1.38 . . . . 0.0 108.999 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.92 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.132 -0.98 . . . . 0.0 111.806 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -77.58 -44.83 27.12 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 119.987 -1.696 . . . . 0.0 112.536 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.495 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -60.12 -43.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.552 -1.343 . . . . 0.0 109.997 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.636 ' CE2' HD13 ' B' ' 28' ' ' LEU . 5.7 t80 -60.02 -39.98 87.74 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.12 -39.97 88.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.632 -1.293 . . . . 0.0 110.241 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -57.04 10.68 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.09 -40.02 20.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.185 -0.947 . . . . 0.0 111.456 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 15.3 m -61.13 -33.72 73.85 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.61 12.59 61.29 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.545 -1.347 . . . . 0.0 111.345 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -121.04 -62.46 1.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.523 -0.986 . . . . 0.0 109.094 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -91.75 16.71 10.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.005 -1.059 . . . . 0.0 111.204 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.531 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -167.5 -156.89 10.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 118.434 -1.841 . . . . 0.0 112.43 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.02 143.46 54.32 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.717 0.77 . . . . 0.0 110.997 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -50.51 -60.0 3.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.69 -0.631 . . . . 0.0 112.3 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -105.1 14.51 29.1 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.929 -1.107 . . . . 0.0 112.541 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.22 144.31 42.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.659 -1.276 . . . . 0.0 109.249 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.636 HD13 ' CE2' ' B' ' 15' ' ' PHE . 2.5 tp -92.44 170.38 9.81 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.885 0.85 . . . . 0.0 110.074 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 69.4 m -131.28 160.84 33.75 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -44.26 -39.91 4.82 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 111.327 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -78.73 -33.49 46.65 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.074 -1.641 . . . . 0.0 110.887 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.531 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 85.8 mt-10 -71.35 -40.07 70.91 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.198 -1.564 . . . . 0.0 111.229 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.665 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.5 pp -59.38 -45.5 91.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.494 -1.379 . . . . 0.0 108.837 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.665 ' N ' HD12 ' B' ' 33' ' ' LEU . 79.6 tttt -59.98 -39.86 87.17 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.32 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.01 -41.73 92.76 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 111.168 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.448 ' HA ' HD13 ' B' ' 36' ' ' LEU . 3.2 mm? -61.53 -35.85 78.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.96 -1.088 . . . . 0.0 110.368 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.8 mp -75.37 -52.23 11.27 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.453 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.475 ' OE1' ' NE2' ' B' ' 48' ' ' GLN . 12.8 pt20 -77.26 -18.33 57.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 113.568 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.409 HG23 ' N ' ' B' ' 40' ' ' GLU . 1.3 t -54.98 -47.2 74.91 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.911 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.409 ' N ' HG23 ' B' ' 39' ' ' THR . 75.5 mm-40 -114.74 -38.19 4.03 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.346 -0.846 . . . . 0.0 111.383 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.479 HD13 HD13 ' B' ' 45' ' ' LEU . 50.2 mt -93.43 40.07 1.06 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.957 -1.09 . . . . 0.0 109.595 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -59.95 -50.09 75.13 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.563 0.697 . . . . 0.0 110.56 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.6 t -81.1 -22.55 39.06 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.452 -0.78 . . . . 0.0 111.647 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 45' ' ' LEU . 3.6 t80 -86.34 -88.48 0.12 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.316 -1.49 . . . . 0.0 112.485 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.479 HD13 HD13 ' B' ' 41' ' ' LEU . 1.2 mp -38.2 157.49 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -176.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.9 t0 -95.37 101.78 13.54 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 122.101 2.228 . . . . 0.0 109.223 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -146.23 -55.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 120.39 -1.444 . . . . 0.0 108.595 178.195 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.475 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 76.8 mm-40 -70.14 -40.52 74.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 0.0 110.08 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -70.72 -24.84 62.71 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -135.57 88.38 2.4 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.0 -32.0 65.67 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.97 -38.82 83.64 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HD13 ' B' ' 57' ' ' ILE . . . -54.82 -39.28 68.34 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 118.628 -1.229 . . . . 0.0 108.913 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -39.96 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.102 -1.624 . . . . 0.0 108.292 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.34 -41.82 98.88 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.97 -1.081 . . . . 0.0 111.944 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.75 -39.97 88.1 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.453 -1.405 . . . . 0.0 109.979 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.539 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 1.4 mp -69.89 -53.0 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.768 -0.582 . . . . 0.0 111.277 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.414 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.5 ttt -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.015 -1.053 . . . . 0.0 111.623 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' B' ' 62' ' ' ASP . 8.7 mmpt? -60.94 -41.29 95.95 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.42 -23.05 64.09 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' B' ' 63' ' ' GLU . 24.6 mt -94.02 -25.0 17.4 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.407 -0.808 . . . . 0.0 110.543 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 86.7 m-20 -72.76 44.76 0.13 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.511 -1.368 . . . . 0.0 107.749 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.05 -39.83 87.34 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.089 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.547 HD21 ' CG ' ' B' ' 66' ' ' ASP . 51.7 p30 -77.35 -12.37 59.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 70.7 32.39 67.14 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.547 ' CG ' HD21 ' B' ' 64' ' ' ASN . 48.5 p-10 -93.72 -6.65 45.69 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.303 -1.116 . . . . 0.0 111.485 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.31 70.28 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -136.78 172.27 13.26 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.43 126.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 O-C-N 120.524 -1.36 . . . . 0.0 110.468 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.2 t0 -92.9 150.64 20.45 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.54 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 0.1 OUTLIER -43.43 -39.9 3.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.33 -0.856 . . . . 0.0 110.231 -177.526 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.85 -34.84 76.7 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.348 -1.47 . . . . 0.0 109.4 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.459 ' O ' HG12 ' B' ' 76' ' ' VAL . 54.1 mt-10 -76.67 -43.74 36.67 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.963 0.887 . . . . 0.0 111.009 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -69.61 -45.33 68.78 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.398 -0.814 . . . . 0.0 111.515 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.643 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.7 p -63.55 -30.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.402 -0.811 . . . . 0.0 110.634 -178.216 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -64.27 -33.7 64.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.708 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.3 tm? -70.19 -55.45 9.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.782 -0.574 . . . . 0.0 111.876 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.453 ' H ' HG23 ' B' ' 78' ' ' VAL . 1.2 t -60.04 -44.76 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-O 122.159 0.98 . . . . 0.0 109.073 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -60.0 -40.48 89.34 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.633 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.88 -24.91 59.79 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.41 -48.32 10.48 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 119.896 -1.752 . . . . 0.0 109.854 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.426 HG23 ' N ' ' B' ' 83' ' ' VAL . 2.0 t -48.7 -47.02 41.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.129 -0.982 . . . . 0.0 109.973 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.451 HG23 ' N ' ' B' ' 84' ' ' ALA . 16.1 m -60.1 -41.72 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.181 -0.949 . . . . 0.0 109.706 177.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.451 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.05 -26.9 66.49 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.444 -0.785 . . . . 0.0 109.128 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.8 -40.65 72.41 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.267 -0.896 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.05 -40.49 89.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.23 -40.08 88.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.39 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -81.89 -8.07 59.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.136 -0.978 . . . . 0.0 109.596 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -79.99 -20.05 46.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.964 . . . . 0.0 108.675 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.415 ' O ' ' CG ' ' B' ' 90' ' ' TRP . 77.8 t90 -77.46 -6.61 54.12 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.81 148.11 52.29 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 54.8 31.71 16.11 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 118.058 -0.972 . . . . 0.0 109.486 -179.566 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 30.6 p . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.538 ' C ' ' H ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -124.2 39.11 4.05 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.488 -0.758 . . . . 0.0 109.108 179.537 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 7.6 p -70.37 18.63 0.05 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 109.732 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.538 ' H ' ' C ' ' X' ' 2' ' ' ARG . 1.8 pttm -168.08 169.44 11.12 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.323 -0.86 . . . . 0.0 109.116 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 3.2 pt -108.84 130.11 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -132.56 23.04 4.34 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.173 -0.954 . . . . 0.0 110.452 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.652 ' O ' HG22 ' X' ' 10' ' ' ILE . 5.8 p-90 -60.01 -38.51 82.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.686 -1.259 . . . . 0.0 109.633 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.468 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 16.5 t-20 -51.15 -32.98 24.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.142 -1.599 . . . . 0.0 108.04 179.359 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' X' ' 12' ' ' SER . 85.3 tttt -62.56 -26.59 68.66 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.652 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -50.01 -38.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.411 HD22 HD21 ' A' ' 81' ' ' LEU . 65.5 tp -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.471 ' N ' ' O ' ' X' ' 9' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -60.07 -42.19 94.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.196 -0.94 . . . . 0.0 109.677 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m -162.53 126.63 3.08 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.087 -1.008 . . . . 0.0 110.032 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -153.97 165.34 36.45 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.86 . . . . 0.0 109.081 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pt -120.8 137.09 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -137.01 20.77 3.02 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.006 -1.059 . . . . 0.0 110.794 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.605 ' O ' HG22 ' Y' ' 10' ' ' ILE . 4.9 p-90 -61.28 -38.29 86.21 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.758 -1.214 . . . . 0.0 110.208 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.478 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 26.1 t-20 -52.49 -35.72 53.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 119.614 -1.929 . . . . 0.0 107.934 179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -24.61 63.64 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.605 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.6 tt -51.0 -39.99 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 60.0 tp -69.16 -40.03 78.43 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.601 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.867 0 N-CA-C 119.224 2.45 . . . . 0.0 119.224 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -78.86 163.07 25.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -1.157 . . . . 0.0 108.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.645 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -59.99 -46.75 88.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.074 -1.016 . . . . 0.0 110.917 -178.118 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.9 tt -64.16 -40.03 95.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.479 -1.388 . . . . 0.0 109.005 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 86.3 tt0 -59.92 -39.2 84.65 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.6 m -53.21 -40.07 64.21 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.282 1.039 . . . . 0.0 109.946 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -32.44 71.18 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.459 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.7 ppp? -76.5 -45.24 31.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.15 -1.594 . . . . 0.0 110.036 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' N ' ' SD ' ' A' ' 8' ' ' MET . 98.3 mt-10 -68.48 -39.21 81.43 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.309 -0.869 . . . . 0.0 110.618 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.18 -55.79 25.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.84 -1.162 . . . . 0.0 110.805 -178.042 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -48.51 -36.38 15.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.397 -1.439 . . . . 0.0 108.788 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -68.14 -39.93 82.1 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 O-C-N 121.259 -0.9 . . . . 0.0 111.386 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -80.76 -42.25 22.12 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 119.865 -1.772 . . . . 0.0 113.316 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 15' ' ' PHE . 13.3 m -60.0 -41.17 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.35 -1.469 . . . . 0.0 108.922 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' N ' HG23 ' A' ' 14' ' ' VAL . 3.6 t80 -59.91 -38.37 82.13 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -59.96 -37.87 80.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.579 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.15 -57.28 13.29 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 113.187 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.44 -45.34 39.3 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 120.863 -1.148 . . . . 0.0 111.267 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 24' ' ' ASP . 22.1 p -60.01 -25.44 65.29 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 5.43 50.05 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.66 -1.275 . . . . 0.0 111.857 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -123.74 -67.55 0.92 Allowed 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 118.84 1.32 . . . . 0.0 109.487 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.83 61.85 5.36 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.591 -1.318 . . . . 0.0 108.854 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.41 -148.95 15.89 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.354 -1.403 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.9 m-20 -88.73 165.57 14.64 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.68 -51.55 59.77 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 111.851 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -130.18 32.0 4.56 Favored 'General case' 0 N--CA 1.513 2.713 0 O-C-N 120.64 -1.287 . . . . 0.0 113.066 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.86 140.71 47.03 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.504 -1.373 . . . . 0.0 108.505 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.3 tp -95.59 156.52 16.29 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.572 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.8 p -129.54 164.87 22.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -48.72 -37.49 18.92 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.649 -1.22 . . . . 0.0 112.219 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 2.2 tmtm? -77.43 -29.78 53.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.083 -1.636 . . . . 0.0 110.301 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.572 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -74.4 -40.94 61.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.65 -1.281 . . . . 0.0 111.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.1 pp -59.99 -45.58 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.646 -1.284 . . . . 0.0 109.117 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.663 ' N ' HD12 ' A' ' 33' ' ' LEU . 75.4 tttt -63.22 -39.41 94.54 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.767 -0.583 . . . . 0.0 111.24 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.53 ' OD2' ' NZ ' ' A' ' 31' ' ' LYS . 97.8 m-20 -69.99 -39.85 75.68 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 110.871 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.01 -39.93 90.68 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.038 0.923 . . . . 0.0 110.613 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 45' ' ' LEU . 6.2 tp -79.04 -52.68 7.89 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.326 0.584 . . . . 0.0 111.984 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.0 pt20 -62.22 -39.96 94.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 122.093 0.949 . . . . 0.0 112.757 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 2.2 t -47.33 -48.95 25.2 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.4 -0.812 . . . . 0.0 110.761 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 39' ' ' THR . 83.3 mt-10 -99.48 -15.16 18.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.241 -0.912 . . . . 0.0 109.887 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -129.89 41.57 3.41 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.2 m -60.08 -50.38 73.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.791 . . . . 0.0 110.159 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -83.76 -19.26 35.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.692 -0.63 . . . . 0.0 112.471 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.642 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.2 t80 -80.54 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 119.843 -1.786 . . . . 0.0 109.923 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.642 ' O ' ' O ' ' A' ' 44' ' ' PHE . 11.2 mp -15.76 151.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.466 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.468 ' H ' ' HB2' ' X' ' 8' ' ' ASN . 44.8 t0 -91.3 104.29 16.84 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 124.428 3.286 . . . . 0.0 109.816 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.435 HG11 HD23 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -142.32 -47.09 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.468 0 O-C-N 120.511 -1.368 . . . . 0.0 109.462 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 81.7 mt-30 -85.81 -12.29 51.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.134 -0.979 . . . . 0.0 110.01 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 2.8 mmtt -92.46 -19.1 22.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.0 m-20 -143.28 93.73 2.53 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -31.32 65.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.93 -38.37 82.17 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.09 85.26 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.64 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -36.51 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.284 -1.51 . . . . 0.0 108.248 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.16 -40.02 96.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.302 -0.874 . . . . 0.0 110.542 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.57 -40.51 84.86 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.225 -0.922 . . . . 0.0 110.429 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.14 -54.03 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.375 -0.828 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.07 -34.34 73.3 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.365 -0.834 . . . . 0.0 109.848 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -59.15 -49.84 76.33 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.955 -1.091 . . . . 0.0 108.599 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.437 ' OE2' ' OG ' ' X' ' 12' ' ' SER . 96.4 mt-10 -59.99 -23.45 63.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 0.0 108.934 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.5 mt -86.67 -28.72 22.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.44 -0.787 . . . . 0.0 109.95 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 12.7 t0 -72.16 50.87 0.22 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 61' ' ' LEU . 95.3 mt-10 -60.04 -41.13 91.58 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.25 -20.02 59.41 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.68 37.54 34.38 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 35.1 p-10 -98.19 -4.58 35.19 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.435 -1.038 . . . . 0.0 111.278 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.561 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 73.78 12.69 80.84 Favored Glycine 0 N--CA 1.503 3.112 0 O-C-N 121.047 -1.033 . . . . 0.0 110.64 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -131.01 174.16 10.28 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.03 129.92 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.779 -1.2 . . . . 0.0 108.924 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 25.9 t0 -96.28 158.88 15.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.093 -1.004 . . . . 0.0 108.757 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.404 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 37.9 t80 -55.08 -27.28 43.78 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 76' ' ' VAL . 62.5 tt0 -74.57 -25.22 59.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 122.127 0.965 . . . . 0.0 108.823 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.45 -48.94 7.97 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.692 0.758 . . . . 0.0 109.802 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.07 -45.59 92.88 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.459 0.647 . . . . 0.0 111.22 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.703 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.7 t -60.03 -39.75 81.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.234 -0.917 . . . . 0.0 109.862 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.4 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.017 -1.052 . . . . 0.0 108.85 178.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.697 ' C ' HD13 ' A' ' 77' ' ' LEU . 2.9 tm? -62.34 -52.44 63.63 Favored 'General case' 0 N--CA 1.51 2.549 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.664 ' O ' HG22 ' A' ' 82' ' ' THR . 11.4 m -58.64 -36.53 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.387 -1.446 . . . . 0.0 109.152 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.717 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -65.55 -39.45 91.72 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-O 121.642 0.734 . . . . 0.0 109.978 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.75 -24.68 58.74 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.425 HD12 HD23 ' A' ' 45' ' ' LEU . 21.9 mt -88.8 -49.18 6.98 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 119.846 -1.784 . . . . 0.0 109.379 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.8 t -45.89 -46.72 16.05 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.653 -1.279 . . . . 0.0 109.814 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.568 HG23 ' N ' ' A' ' 84' ' ' ALA . 27.6 m -59.95 -44.2 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.076 -1.015 . . . . 0.0 110.383 178.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.568 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.17 -25.04 65.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.392 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.09 -34.38 75.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.0 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 0.0 109.133 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.87 -3.7 57.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.061 -1.024 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 58.4 t80 -79.52 -5.11 54.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.184 -0.947 . . . . 0.0 108.877 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -59.88 -40.67 89.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.452 -0.78 . . . . 0.0 109.693 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -60.05 143.86 50.93 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.8 t30 62.18 33.18 16.99 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.201 -0.937 . . . . 0.0 109.387 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.545 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.429 ' N ' ' CD ' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.357 2.503 . . . . 0.0 119.357 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -78.67 163.01 25.8 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -1.149 . . . . 0.0 109.074 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.633 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.1 pm0 -60.06 -46.71 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.052 . . . . 0.0 110.873 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.01 -40.04 95.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.568 -1.332 . . . . 0.0 109.053 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' B' ' 1' ' ' GLY . 86.2 tt0 -59.96 -39.11 84.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.895 . . . . 0.0 109.177 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.4 m -53.26 -40.05 64.32 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.321 1.058 . . . . 0.0 110.019 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.38 71.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.7 ppp? -76.47 -45.14 32.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.175 -1.578 . . . . 0.0 110.11 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.44 ' N ' ' SD ' ' B' ' 8' ' ' MET . 98.3 mt-10 -68.64 -39.1 80.9 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.361 -0.837 . . . . 0.0 110.677 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.51 -55.6 25.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.879 -1.138 . . . . 0.0 110.757 -177.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.4 mp -48.5 -36.45 15.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.4 -1.438 . . . . 0.0 108.829 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.03 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.297 -0.877 . . . . 0.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -80.7 -42.36 22.09 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.965 -1.709 . . . . 0.0 113.26 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.552 HG23 ' N ' ' B' ' 15' ' ' PHE . 13.7 m -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.342 -1.474 . . . . 0.0 108.872 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.552 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.2 t80 -59.99 -38.48 82.73 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -60.0 -37.82 80.81 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.716 -1.24 . . . . 0.0 109.607 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -57.15 13.86 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.259 -0.901 . . . . 0.0 113.156 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -75.42 -45.36 39.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.79 -1.194 . . . . 0.0 111.365 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 p -60.02 -25.48 65.34 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.93 5.32 50.28 Favored Glycine 0 N--CA 1.502 3.078 0 O-C-N 120.585 -1.322 . . . . 0.0 111.926 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -123.61 -67.62 0.92 Allowed 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 118.92 1.36 . . . . 0.0 109.517 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -81.78 61.86 5.33 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.599 -1.313 . . . . 0.0 108.829 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.51 -148.96 15.86 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.309 -1.424 . . . . 0.0 111.279 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -88.81 165.69 14.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.823 -0.81 . . . . 0.0 108.866 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.74 -51.57 59.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 111.872 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -129.99 31.75 4.64 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.576 -1.328 . . . . 0.0 113.106 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.75 140.57 47.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.308 . . . . 0.0 108.431 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.457 HD13 ' CE2' ' B' ' 15' ' ' PHE . 5.3 tp -95.1 156.53 16.28 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.572 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.7 p -129.69 164.84 23.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -48.76 -37.51 19.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.688 -1.257 . . . . 0.0 112.186 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 1.8 tmtm? -77.52 -29.74 52.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.05 -1.657 . . . . 0.0 110.151 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.572 ' HB2' ' H ' ' B' ' 29' ' ' SER . 51.4 mt-10 -74.33 -40.85 61.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.641 -1.287 . . . . 0.0 111.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.657 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.1 pp -60.01 -45.59 92.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.724 -1.235 . . . . 0.0 109.173 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.657 ' N ' HD12 ' B' ' 33' ' ' LEU . 75.5 tttt -63.4 -39.06 93.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.865 -0.522 . . . . 0.0 111.246 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' B' ' 31' ' ' LYS . 98.0 m-20 -70.04 -39.96 75.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.844 -1.16 . . . . 0.0 110.871 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -65.86 -39.99 91.25 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.975 0.893 . . . . 0.0 110.618 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.414 HD21 HD23 ' B' ' 45' ' ' LEU . 6.8 tp -78.89 -52.75 7.86 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-O 121.481 0.658 . . . . 0.0 111.928 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.577 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.9 pt20 -62.2 -40.05 94.79 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 122.134 0.969 . . . . 0.0 112.752 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 2.7 t -47.26 -49.27 23.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.342 -0.849 . . . . 0.0 110.712 -175.519 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.434 ' N ' HG23 ' B' ' 39' ' ' THR . 85.6 mt-10 -99.16 -15.01 19.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 0.0 109.942 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 mt -130.23 41.69 3.37 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.577 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.3 m -60.01 -50.37 74.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.214 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -83.93 -18.24 38.01 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.458 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.3 t80 -81.86 -96.34 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 119.991 -1.693 . . . . 0.0 112.007 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.517 HD23 HD12 ' B' ' 81' ' ' LEU . 10.8 mp -40.09 159.37 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.1 t0 -91.38 103.88 16.47 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 122.45 2.386 . . . . 0.0 109.535 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.412 HG11 HD23 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -142.46 -47.15 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.798 -1.189 . . . . 0.0 109.067 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.55 -12.54 51.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.092 -1.005 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 2.4 mmtt -92.61 -18.77 22.64 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.1 m-20 -143.58 93.45 2.47 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.44 64.94 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.98 -38.59 82.99 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.23 85.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.462 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -36.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.087 -1.633 . . . . 0.0 108.161 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.91 -39.98 96.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 110.618 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.89 -40.2 83.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.076 -1.015 . . . . 0.0 110.437 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.436 HG12 HD22 ' Y' ' 8' ' ' ASN . 1.6 mp -70.24 -53.82 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.428 -0.795 . . . . 0.0 110.886 -179.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttt -59.96 -34.61 73.5 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.373 -0.829 . . . . 0.0 109.862 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -59.07 -49.98 75.8 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.905 -1.122 . . . . 0.0 108.608 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.1 -21.83 62.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 0.0 109.257 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' B' ' 63' ' ' GLU . 33.7 mt -88.36 -28.46 20.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.541 -0.724 . . . . 0.0 109.839 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.554 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 12.8 t0 -72.44 50.93 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' B' ' 61' ' ' LEU . 95.1 mt-10 -60.04 -40.99 91.27 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.42 -19.94 59.19 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.52 37.57 35.13 Favored Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 35.2 p-10 -98.13 -4.94 34.63 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.448 -1.03 . . . . 0.0 111.138 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.554 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 74.07 12.7 81.41 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -130.89 174.31 10.1 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -129.98 129.85 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 120.689 -1.257 . . . . 0.0 108.97 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.16 159.07 15.15 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.979 -1.076 . . . . 0.0 108.697 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.14 -27.48 45.74 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.517 ' O ' HG23 ' B' ' 76' ' ' VAL . 62.7 tt0 -74.53 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.099 0.952 . . . . 0.0 108.758 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.5 -48.78 8.09 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.802 0.811 . . . . 0.0 109.835 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.96 -45.76 92.26 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.504 0.668 . . . . 0.0 111.196 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.717 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.5 t -60.07 -39.59 80.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.215 -0.928 . . . . 0.0 109.803 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.0 t -60.07 -40.05 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.835 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.684 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.0 tm? -62.4 -52.39 63.79 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.662 ' O ' HG22 ' B' ' 82' ' ' THR . 13.1 m -58.7 -36.38 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.447 -1.408 . . . . 0.0 109.232 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.703 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-O 121.723 0.773 . . . . 0.0 109.925 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.57 58.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.517 HD12 HD23 ' B' ' 45' ' ' LEU . 21.5 mt -88.84 -48.97 7.1 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 119.829 -1.794 . . . . 0.0 109.446 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.662 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.8 t -46.11 -46.54 17.13 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.85 -1.156 . . . . 0.0 109.648 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.547 HG23 ' N ' ' B' ' 84' ' ' ALA . 27.5 m -59.97 -44.15 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.031 -1.043 . . . . 0.0 110.482 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.547 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.66 -24.93 65.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.244 -0.91 . . . . 0.0 109.384 -179.165 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.33 -34.0 73.96 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.066 -1.021 . . . . 0.0 108.995 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -59.95 -38.4 82.32 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.142 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -82.53 -3.96 56.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.076 -1.015 . . . . 0.0 109.129 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 58.1 t80 -79.47 -4.99 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.233 -0.917 . . . . 0.0 108.979 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.99 -40.53 89.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 0.0 109.692 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.21 143.71 51.89 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.1 t30 62.41 33.09 16.5 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.318 -0.863 . . . . 0.0 109.292 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.509 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' X' X ' 1' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 62.5 p . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.306 0.574 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.411 ' N ' ' OG1' ' X' ' 1' ' ' THR . 59.4 mtm180 -60.06 -40.16 88.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.309 -0.869 . . . . 0.0 109.383 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 24.7 p -64.58 -40.45 95.57 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.165 -0.96 . . . . 0.0 110.031 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.16 142.7 27.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.996 -1.065 . . . . 0.0 108.464 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.37 125.29 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' X' ' 9' ' ' LYS . 74.7 m-20 -147.48 8.06 0.89 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.08 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.686 ' CZ2' ' ND2' ' X' ' 8' ' ' ASN . 35.9 p-90 -55.71 -41.54 73.95 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.686 ' ND2' ' CZ2' ' X' ' 7' ' ' TRP . 14.0 m120 -52.49 -29.32 24.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.168 -1.583 . . . . 0.0 107.573 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' X' ' 12' ' ' SER . 25.0 ttpp -55.28 -23.81 25.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.589 ' N ' ' O ' ' X' ' 7' ' ' TRP . 10.8 tt -50.01 -36.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.566 ' O ' HD13 ' X' ' 11' ' ' LEU . 0.3 OUTLIER -60.02 -39.83 87.2 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.793 178.761 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.538 ' N ' ' O ' ' X' ' 9' ' ' LYS . 19.9 p . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.647 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -79.01 155.99 28.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.03 -1.043 . . . . 0.0 109.581 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -79.71 138.3 37.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.246 -0.909 . . . . 0.0 109.546 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -85.86 -47.77 9.37 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.482 -0.762 . . . . 0.0 110.398 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 1.8 tt -122.21 121.09 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.33 0 O-C-N 121.106 -0.996 . . . . 0.0 110.011 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Y' ' 6' ' ' ASP . 12.0 t70 -150.04 -4.0 0.37 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.999 0.904 . . . . 0.0 108.574 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.589 ' O ' HG22 ' Y' ' 10' ' ' ILE . 23.3 p-90 -59.94 -47.63 85.01 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.911 -1.118 . . . . 0.0 108.989 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 20.8 t-20 -49.88 -32.32 14.22 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.078 -1.639 . . . . 0.0 109.367 179.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' Y' ' 12' ' ' SER . 87.5 tttt -59.47 -24.39 63.52 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.589 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.4 tt -47.05 -38.87 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.398 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 7.9 tt -67.33 -40.14 85.89 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.921 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 19.5 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.493 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.443 2.537 . . . . 0.0 119.443 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -79.83 168.53 19.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -1.209 . . . . 0.0 108.752 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 35.7 mp0 -59.87 -49.47 77.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.902 -1.124 . . . . 0.0 111.473 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' HG ' HG21 ' B' ' 14' ' ' VAL . 6.1 mt -59.98 -44.17 94.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.428 -1.42 . . . . 0.0 109.617 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.54 -35.41 77.67 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.087 -1.008 . . . . 0.0 109.96 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.88 -43.87 94.53 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.383 -0.823 . . . . 0.0 110.25 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.498 -0.751 . . . . 0.0 112.318 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 ttt -68.53 -50.69 50.18 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.22 -1.55 . . . . 0.0 109.832 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -70.03 -36.98 75.45 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.813 -0.555 . . . . 0.0 111.084 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 13' ' ' ASN . 2.0 t -60.18 -54.88 40.59 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.138 -1.425 . . . . 0.0 109.176 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' A' ' 10' ' ' THR . 6.9 mp -47.61 -34.72 8.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.444 -1.41 . . . . 0.0 108.503 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -72.35 -23.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.147 -0.971 . . . . 0.0 108.809 178.634 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.8 t-20 -77.81 -53.58 7.33 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.352 -0.843 . . . . 0.0 112.026 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 m -72.12 -42.32 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.352 -0.843 . . . . 0.0 111.292 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 5.0 m-30 -60.11 -42.35 94.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.541 -1.349 . . . . 0.0 107.699 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 9.1 m80 -61.38 -38.85 88.5 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 120.786 -1.196 . . . . 0.0 109.676 178.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.76 -55.52 33.25 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.432 -0.792 . . . . 0.0 113.064 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' A' ' 36' ' ' LEU . 22.2 m80 -79.04 -43.95 23.19 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.612 -1.305 . . . . 0.0 111.344 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 m -57.5 -31.18 65.76 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.31 9.58 57.68 Favored Glycine 0 N--CA 1.504 3.231 0 O-C-N 120.567 -1.333 . . . . 0.0 110.092 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' GLY . 11.7 ttmm -125.99 -73.65 0.62 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.524 -0.986 . . . . 0.0 108.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 97.1 mt-10 -69.62 42.73 0.05 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.91 -1.119 . . . . 0.0 110.277 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . 173.47 -141.52 6.12 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 119.449 -1.358 . . . . 0.0 110.856 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -88.98 170.09 10.98 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -59.55 -49.39 77.96 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 112.093 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -125.4 28.35 6.31 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.306 -1.497 . . . . 0.0 112.834 -177.059 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -133.9 141.07 47.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.559 -1.338 . . . . 0.0 108.708 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tp -91.79 155.77 18.0 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.542 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 35.3 t -129.32 160.62 32.45 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.203 -0.936 . . . . 0.0 109.258 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.98 -42.31 5.92 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.133 -0.98 . . . . 0.0 111.839 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -77.08 -25.61 52.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.596 -1.94 . . . . 0.0 110.863 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.542 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -73.9 -43.4 58.58 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.727 -1.233 . . . . 0.0 111.115 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.3 pp -59.88 -42.67 94.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.769 -1.207 . . . . 0.0 108.073 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.706 ' N ' HD12 ' A' ' 33' ' ' LEU . 79.3 tttt -60.02 -41.06 91.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.271 -178.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -63.4 -44.83 93.56 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.557 HD21 ' ND1' ' A' ' 18' ' ' HIS . 58.3 mt -71.59 -39.98 70.18 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 119.588 -1.945 . . . . 0.0 111.524 -178.285 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.23 -46.55 70.22 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.035 -1.041 . . . . 0.0 112.645 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 39' ' ' THR . 16.2 pt20 -71.35 -40.96 70.36 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 122.164 0.983 . . . . 0.0 112.069 -177.801 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.495 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.3 m -59.95 -44.39 94.42 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.323 -175.349 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 35.3 mp0 -99.41 -17.52 17.94 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.009 -1.057 . . . . 0.0 111.791 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.718 HD13 HD23 ' A' ' 45' ' ' LEU . 81.6 mt -134.96 52.06 2.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.883 -1.135 . . . . 0.0 110.818 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.547 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 58.1 m -61.92 -45.46 93.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.877 -1.139 . . . . 0.0 110.195 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -66.06 -40.05 90.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 111.561 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.644 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.2 t80 -91.49 -104.75 0.1 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.858 -1.151 . . . . 0.0 111.513 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.718 HD23 HD13 ' A' ' 41' ' ' LEU . 3.8 mm? -8.5 138.95 0.0 OUTLIER 'General case' 0 N--CA 1.528 3.45 0 CA-C-O 115.776 -2.059 . . . . 0.0 110.205 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 12.8 p30 -88.77 124.57 34.27 Favored 'General case' 0 N--CA 1.518 2.969 1 CA-C-N 126.882 4.401 . . . . 0.0 110.043 176.017 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 48' ' ' GLN . 57.8 t -151.63 -94.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.704 -1.248 . . . . 0.0 110.992 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.422 ' N ' HG12 ' A' ' 47' ' ' VAL . 96.3 mt-30 -60.39 -40.37 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.88 . . . . 0.0 112.337 -177.534 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.692 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.32 -17.15 62.24 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -148.54 91.26 1.87 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.08 76.55 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 19.9 t0 -56.36 -37.82 70.57 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.19 96.66 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.318 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -33.29 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.019 -1.675 . . . . 0.0 108.107 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -68.99 -39.28 79.47 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.445 -0.784 . . . . 0.0 110.741 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' CG ' ' A' ' 52' ' ' ASP . 61.4 mttp -69.28 -39.89 78.1 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.055 -1.028 . . . . 0.0 110.789 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.59 -55.7 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.367 -0.833 . . . . 0.0 109.553 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 1.4 ttt -60.1 -36.69 77.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.0 109.831 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.87 -44.93 93.89 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.04 -25.93 67.27 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.6 mt -90.66 -27.79 18.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.411 -0.805 . . . . 0.0 109.754 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 58' ' ' MET . 90.1 m-20 -72.09 49.02 0.18 Allowed 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 61' ' ' LEU . 43.7 mt-10 -59.88 -42.21 93.29 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 87.7 m-20 -74.44 -20.75 59.91 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.06 39.97 22.09 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.14 -7.31 32.9 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.502 -0.999 . . . . 0.0 112.437 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.57 6.91 82.34 Favored Glycine 0 N--CA 1.502 3.045 0 O-C-N 120.694 -1.254 . . . . 0.0 110.125 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -131.71 175.96 8.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.08 130.38 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 0 O-C-N 120.68 -1.263 . . . . 0.0 108.965 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 38.0 t0 -93.57 167.95 11.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 0.0 108.776 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -59.94 -37.79 80.55 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -178.317 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.611 ' O ' HG23 ' A' ' 76' ' ' VAL . 60.4 tt0 -69.52 -24.2 63.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -85.62 -51.09 6.71 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.801 0.81 . . . . 0.0 110.304 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 1.3 t80 -63.0 -46.86 85.64 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.777 0.798 . . . . 0.0 111.25 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.695 HG12 ' HB1' ' B' ' 79' ' ' ALA . 50.6 t -60.24 -38.26 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.604 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.1 t -57.9 -40.04 74.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.974 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.708 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.1 tm? -60.43 -51.09 70.97 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.218 -0.926 . . . . 0.0 112.603 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.54 -28.64 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.484 -1.385 . . . . 0.0 109.504 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.665 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -71.67 -34.88 70.07 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.271 -0.893 . . . . 0.0 110.138 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.0 -20.76 26.78 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -176.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.11 HD13 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -81.62 -31.27 32.53 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.38 -2.075 . . . . 0.0 108.394 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 1.11 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.6 t -72.23 -42.87 65.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.09 -1.006 . . . . 0.0 110.923 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 79' ' ' ALA . 18.6 m -60.06 -44.84 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.883 -1.135 . . . . 0.0 108.995 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.595 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -66.83 -30.34 70.5 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.568 0.699 . . . . 0.0 109.311 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.37 -39.98 94.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.509 -0.744 . . . . 0.0 109.161 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.81 -32.79 72.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.823 . . . . 0.0 109.421 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -59.88 -39.91 86.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.98 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -84.25 -6.98 59.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.936 -1.103 . . . . 0.0 109.997 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.814 -1.179 . . . . 0.0 109.038 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -86.17 -3.26 58.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.782 -0.574 . . . . 0.0 110.954 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -59.94 -39.65 86.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.801 -1.187 . . . . 0.0 109.542 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -96.92 0.04 48.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.141 -0.974 . . . . 0.0 109.808 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.259 -179.736 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.944 0 N-CA-C 119.398 2.519 . . . . 0.0 119.398 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -79.69 168.52 19.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.167 -1.196 . . . . 0.0 108.604 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 36.8 mp0 -59.89 -49.54 77.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.815 -1.178 . . . . 0.0 111.58 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.99 -43.88 94.86 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.396 -1.44 . . . . 0.0 109.752 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.75 -35.2 77.43 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.996 -1.065 . . . . 0.0 109.928 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.94 -44.08 94.59 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.422 -0.799 . . . . 0.0 110.294 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -70.24 -28.91 65.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.654 -0.654 . . . . 0.0 112.286 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.52 -50.78 49.48 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.363 -1.46 . . . . 0.0 109.778 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.0 -36.95 75.54 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.85 -0.531 . . . . 0.0 111.19 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.543 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.9 t -60.17 -54.66 43.19 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.28 -1.368 . . . . 0.0 109.277 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 6.9 mp -48.01 -34.26 9.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.358 -1.464 . . . . 0.0 108.588 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 70.3 mt -72.81 -23.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.103 -0.998 . . . . 0.0 108.785 178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 10' ' ' THR . 19.1 t-20 -77.69 -53.13 7.91 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.364 -0.835 . . . . 0.0 112.026 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.434 HG21 ' HG ' ' A' ' 4' ' ' LEU . 28.5 m -72.72 -42.24 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 111.195 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.643 ' CZ ' ' CE2' ' B' ' 74' ' ' PHE . 5.0 m-30 -60.1 -42.45 94.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.556 -1.34 . . . . 0.0 107.504 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 8.8 m80 -61.2 -39.19 89.27 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.695 -1.253 . . . . 0.0 109.62 178.696 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.7 31.32 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 0.0 113.022 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.555 ' ND1' HD21 ' B' ' 36' ' ' LEU . 21.8 m80 -78.91 -44.05 23.49 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.604 -1.31 . . . . 0.0 111.424 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 24' ' ' ASP . 6.0 m -57.5 -30.97 65.55 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.47 9.26 57.29 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.573 -1.33 . . . . 0.0 110.201 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' B' ' 23' ' ' GLY . 12.4 ttmm -125.96 -73.53 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.582 -0.952 . . . . 0.0 108.923 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' B' ' 32' ' ' GLU . 96.4 mt-10 -69.35 42.23 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.886 -1.134 . . . . 0.0 110.411 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . 173.83 -141.3 5.94 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.886 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . 94.9 m-20 -89.21 170.15 10.84 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.864 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -59.54 -49.77 76.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.955 -1.091 . . . . 0.0 112.046 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -125.14 28.39 6.39 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.326 -1.484 . . . . 0.0 112.857 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -133.94 140.72 46.95 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.53 -1.356 . . . . 0.0 108.569 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -91.35 156.24 17.91 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.51 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.1 t -129.5 160.86 31.87 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.163 -0.96 . . . . 0.0 109.066 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.8 -41.85 7.32 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.853 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -77.06 -25.71 52.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 119.576 -1.952 . . . . 0.0 110.776 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.51 ' HB2' ' H ' ' B' ' 29' ' ' SER . 50.5 mt-10 -73.93 -43.03 59.65 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.619 -1.301 . . . . 0.0 111.134 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.713 HD12 ' N ' ' B' ' 34' ' ' LYS . 4.3 pp -60.02 -42.54 94.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 108.098 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.713 ' N ' HD12 ' B' ' 33' ' ' LEU . 81.3 tttt -60.08 -41.02 91.56 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.148 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -63.38 -45.32 91.64 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.555 HD21 ' ND1' ' B' ' 18' ' ' HIS . 61.6 mt -71.19 -39.88 71.54 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 119.653 -1.904 . . . . 0.0 111.558 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.66 -46.26 69.59 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.139 -0.975 . . . . 0.0 112.68 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.51 ' CG ' ' N ' ' B' ' 39' ' ' THR . 16.3 pt20 -71.41 -41.02 70.1 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.319 1.057 . . . . 0.0 111.983 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.51 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.0 m -59.91 -44.6 94.19 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.32 -175.215 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.467 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 34.9 mp0 -99.35 -17.02 18.23 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.033 -1.042 . . . . 0.0 111.889 -177.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.712 HD13 HD23 ' B' ' 45' ' ' LEU . 77.7 mt -135.3 52.13 2.04 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.026 -1.047 . . . . 0.0 110.743 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.54 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 61.9 m -62.17 -45.2 94.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.952 -1.092 . . . . 0.0 110.118 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 73.4 m -66.15 -39.91 90.16 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.283 -0.885 . . . . 0.0 111.531 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' B' ' 45' ' ' LEU . 4.7 t80 -92.19 -91.99 0.16 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.954 -1.091 . . . . 0.0 112.865 -177.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.712 HD23 HD13 ' B' ' 41' ' ' LEU . 3.4 mm? -31.35 146.12 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.03 0 CA-C-O 117.384 -1.294 . . . . 0.0 109.02 -174.292 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 18.1 p-10 -88.99 123.25 33.14 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 124.5 3.318 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.428 HG12 ' N ' ' B' ' 48' ' ' GLN . 59.8 t -151.69 -94.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 120.788 -1.195 . . . . 0.0 110.793 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.428 ' N ' HG12 ' B' ' 47' ' ' VAL . 96.6 mt-30 -60.1 -40.11 88.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 112.492 -177.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.69 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -63.73 -17.4 62.98 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -148.14 91.45 1.92 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.04 76.11 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.479 ' CG ' ' NZ ' ' B' ' 56' ' ' LYS . 18.3 t0 -56.56 -38.58 72.11 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.79 98.88 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.074 -176.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -33.42 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.217 -1.552 . . . . 0.0 108.327 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -69.07 -39.74 78.92 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.416 -0.803 . . . . 0.0 110.693 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.479 ' NZ ' ' CG ' ' B' ' 52' ' ' ASP . 59.6 mttp -68.69 -40.0 80.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.051 -1.031 . . . . 0.0 110.744 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.85 -55.59 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.375 -0.828 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.502 ' O ' ' N ' ' B' ' 62' ' ' ASP . 1.5 ttt -59.98 -36.85 78.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.468 -0.77 . . . . 0.0 109.939 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -59.73 -44.63 93.67 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.13 -23.8 66.77 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 63' ' ' GLU . 33.7 mt -92.48 -27.72 17.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.451 -0.78 . . . . 0.0 109.453 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 58' ' ' MET . 89.7 m-20 -72.28 49.11 0.19 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' B' ' 61' ' ' LEU . 44.1 mt-10 -60.05 -42.23 94.04 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -74.43 -20.85 59.89 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.12 39.94 21.96 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 107.774 -2.13 . . . . 0.0 107.774 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -97.09 -7.6 32.3 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 121.508 -0.995 . . . . 0.0 112.336 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.24 7.61 82.44 Favored Glycine 0 N--CA 1.501 3.007 0 O-C-N 120.705 -1.247 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -131.89 176.01 8.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.05 130.29 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 O-C-N 120.639 -1.288 . . . . 0.0 109.067 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 38.4 t0 -93.71 167.74 11.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.789 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.419 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -59.66 -37.42 78.69 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.313 -178.254 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.608 ' O ' HG23 ' B' ' 76' ' ' VAL . 58.7 tt0 -69.93 -24.4 63.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -85.47 -51.05 6.79 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.123 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.643 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 1.3 t80 -62.9 -46.86 85.85 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.792 0.806 . . . . 0.0 111.236 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.665 HG12 ' HB1' ' A' ' 79' ' ' ALA . 55.0 t -59.93 -38.74 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.104 -0.998 . . . . 0.0 110.667 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.1 t -57.67 -39.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 C-N-CA 118.961 -1.095 . . . . 0.0 109.139 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.709 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.1 tm? -60.19 -51.81 67.99 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.205 -0.935 . . . . 0.0 112.349 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -62.78 -29.38 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.605 -1.309 . . . . 0.0 109.695 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.695 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -71.44 -34.87 70.66 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.326 -0.859 . . . . 0.0 110.084 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.546 ' HB3' HD11 ' Y' ' 11' ' ' LEU . . . -86.66 -20.92 27.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.439 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 1.107 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -81.98 -31.35 31.17 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 119.388 -2.07 . . . . 0.0 108.348 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 1.107 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.6 t -72.13 -42.57 65.86 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.982 -1.074 . . . . 0.0 110.944 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.655 HG13 ' O ' ' B' ' 79' ' ' ALA . 18.1 m -60.16 -45.05 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.966 -1.084 . . . . 0.0 109.116 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.606 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -67.54 -29.4 68.78 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.465 0.65 . . . . 0.0 109.306 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.39 -39.91 94.79 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.456 -0.778 . . . . 0.0 109.136 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -61.01 -32.89 72.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.343 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.84 -39.6 85.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.256 -0.903 . . . . 0.0 108.925 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -84.49 -6.9 59.41 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.924 -1.11 . . . . 0.0 109.983 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.06 -35.46 66.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.901 -1.124 . . . . 0.0 109.021 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -86.13 -3.33 58.93 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.784 -0.572 . . . . 0.0 110.868 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -59.7 -39.94 86.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.725 -1.235 . . . . 0.0 109.644 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -96.72 -0.0 48.91 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.174 -0.954 . . . . 0.0 109.639 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.156 -179.63 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.384 0.611 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' X' ' 4' ' ' LYS . 39.1 mmt180 -71.64 152.41 42.88 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 3' ' ' THR . . . . . 0.448 HG22 ' H ' ' X' ' 3' ' ' THR . 0.0 OUTLIER -61.88 72.97 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.813 -1.179 . . . . 0.0 109.671 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' X' ' 2' ' ' ARG . 4.6 tppt? -147.25 115.79 6.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.243 -0.91 . . . . 0.0 109.11 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.45 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 3.4 pt -143.14 128.22 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.349 -0.844 . . . . 0.0 108.869 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -109.93 17.72 20.84 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.034 -1.041 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.582 ' O ' HG22 ' X' ' 10' ' ' ILE . 62.1 t90 -59.88 -47.52 85.43 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.172 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.73 ' CG ' HD11 ' A' ' 57' ' ' ILE . 7.8 t-20 -50.76 -33.36 22.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 119.893 -1.754 . . . . 0.0 109.116 179.835 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.92 -25.28 65.01 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.582 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.8 tt -50.77 -43.22 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.4 tp -71.04 -41.13 71.2 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.08 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.448 ' O ' ' O ' ' X' ' 11' ' ' LEU . 3.1 t . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.161 -0.923 . . . . 0.0 109.649 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . 0.488 ' H2 ' ' HZ2' ' Y' ' 4' ' ' LYS . 3.8 m . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.485 ' O ' ' OG1' ' Y' ' 3' ' ' THR . 77.4 mtm180 -75.32 175.35 8.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.271 -0.893 . . . . 0.0 110.502 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' Y' ' 2' ' ' ARG . 13.6 p 65.65 69.53 0.46 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.503 0.668 . . . . 0.0 110.549 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.488 ' HZ2' ' H2 ' ' Y' ' 1' ' ' THR . 98.0 mttt -146.19 155.55 42.78 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.409 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.9 pt -111.81 125.57 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.364 -0.835 . . . . 0.0 109.065 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -108.78 16.99 22.34 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.901 0.857 . . . . 0.0 108.79 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.625 ' O ' HG22 ' Y' ' 10' ' ' ILE . 56.4 t90 -59.89 -49.95 75.67 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 110.585 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.655 ' CG ' HD11 ' B' ' 57' ' ' ILE . 7.9 t-20 -52.07 -31.23 29.43 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 119.622 -1.923 . . . . 0.0 108.987 -179.783 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.94 -23.89 63.92 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.625 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.96 -37.38 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.599 ' O ' HD23 ' Y' ' 11' ' ' LEU . 3.0 tt -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.588 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.93 0 N-CA-C 120.046 2.778 . . . . 0.0 120.046 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -86.93 36.34 0.72 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.474 -1.016 . . . . 0.0 110.126 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.28 -42.61 95.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.06 -1.025 . . . . 0.0 110.974 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 58.5 tp -62.33 -42.31 99.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.6 -1.312 . . . . 0.0 109.79 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.66 -38.62 85.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.119 -0.988 . . . . 0.0 109.238 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.5 m -48.75 -45.75 40.14 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 122.072 0.939 . . . . 0.0 110.213 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -28.61 64.56 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.2 ttt -70.31 -52.15 24.96 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.057 -1.652 . . . . 0.0 110.916 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.54 -29.49 70.12 Favored 'General case' 0 C--N 1.289 -2.022 0 O-C-N 121.623 -0.673 . . . . 0.0 110.303 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.52 -58.65 6.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.983 . . . . 0.0 110.239 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.46 -40.06 61.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.384 -1.448 . . . . 0.0 110.047 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.54 -39.44 85.6 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 O-C-N 120.996 -1.065 . . . . 0.0 112.0 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -79.02 -44.76 21.6 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.042 -1.661 . . . . 0.0 112.451 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.9 p -59.93 -40.65 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.825 -1.172 . . . . 0.0 109.145 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 40.8 t80 -62.52 -40.4 96.61 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.711 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.0 -27.25 64.54 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.493 -1.379 . . . . 0.0 109.718 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -55.67 31.5 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.416 -0.802 . . . . 0.0 112.465 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.892 ' NE2' HD11 ' A' ' 28' ' ' LEU . 7.8 p-80 -86.66 -38.83 16.66 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.278 -0.889 . . . . 0.0 111.32 -178.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.457 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 46.7 m -54.16 -29.09 44.3 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 112.372 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.56 11.04 25.86 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.87 -1.144 . . . . 0.0 112.574 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -114.82 -73.49 0.65 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 119.361 1.58 . . . . 0.0 108.884 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -87.69 76.46 8.84 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.45 -153.85 25.15 Favored Glycine 0 N--CA 1.488 2.112 0 C-N-CA 119.487 -1.339 . . . . 0.0 111.065 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -75.47 157.24 34.31 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.678 0.752 . . . . 0.0 110.239 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' H ' ' CD ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -56.05 -50.74 70.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.591 -0.693 . . . . 0.0 111.994 -177.244 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.473 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 41.5 t80 -134.69 37.67 3.08 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.556 -1.34 . . . . 0.0 111.222 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -139.86 142.82 36.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.906 -1.121 . . . . 0.0 108.675 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.892 HD11 ' NE2' ' A' ' 18' ' ' HIS . 4.1 tp -92.51 150.24 20.88 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.493 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 59.9 m -129.65 166.7 19.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.909 -1.12 . . . . 0.0 108.294 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -46.44 -32.77 3.49 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.628 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -82.85 -38.39 23.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.757 -1.215 . . . . 0.0 111.232 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HB2' ' H ' ' A' ' 29' ' ' SER . 34.4 mt-10 -70.03 -39.94 75.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.119 -1.613 . . . . 0.0 109.798 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.7 pp -59.37 -52.17 66.76 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.472 -1.392 . . . . 0.0 110.507 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.753 ' N ' HD12 ' A' ' 33' ' ' LEU . 78.2 tttt -60.12 -40.15 88.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.746 -1.221 . . . . 0.0 112.369 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 51.1 t0 -62.38 -40.73 97.4 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.017 -1.052 . . . . 0.0 110.589 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 18' ' ' HIS . 44.7 tp -59.99 -49.6 77.04 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.724 -0.61 . . . . 0.0 111.893 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.837 HD12 HD22 ' A' ' 45' ' ' LEU . 4.0 mm? -70.3 -40.41 74.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.912 -1.118 . . . . 0.0 112.884 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.55 -23.09 59.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 112.619 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.7 m -59.59 -45.44 91.87 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.809 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' C ' HD12 ' A' ' 41' ' ' LEU . 60.2 mt-10 -107.01 -39.54 5.72 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.46 -0.775 . . . . 0.0 111.361 -177.768 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.1 mp -99.47 42.58 1.1 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.904 -1.122 . . . . 0.0 108.782 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -60.07 -45.24 93.55 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.499 0.666 . . . . 0.0 109.982 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.0 t -85.03 -20.07 31.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.474 -0.766 . . . . 0.0 111.873 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.68 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 1.9 t80 -89.0 -105.09 0.09 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.491 -1.381 . . . . 0.0 111.483 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.837 HD22 HD12 ' A' ' 37' ' ' LEU . 1.4 tp -13.08 150.78 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.93 0 CA-C-O 117.435 -1.269 . . . . 0.0 110.24 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 33.5 t0 -93.75 103.69 15.81 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 124.271 3.214 . . . . 0.0 109.089 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -142.39 -56.32 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 O-C-N 120.348 -1.47 . . . . 0.0 110.212 179.123 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.5 pt20 -81.55 -35.93 29.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.776 -1.202 . . . . 0.0 109.727 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.644 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -68.37 -22.57 64.65 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.09 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 46' ' ' ASP . 76.9 m-20 -141.65 91.95 2.41 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.52 69.98 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.86 -38.57 82.5 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.75 76.46 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.826 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -39.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.484 -1.385 . . . . 0.0 107.934 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -61.1 -39.97 91.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.257 -0.902 . . . . 0.0 110.658 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.76 -40.04 94.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.514 -1.366 . . . . 0.0 109.425 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.73 HD11 ' CG ' ' X' ' 8' ' ' ASN . 49.2 mt -70.95 -51.3 36.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.534 0.683 . . . . 0.0 111.699 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.1 tpt -60.27 -42.76 96.07 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 121.057 -1.027 . . . . 0.0 110.041 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -43.51 98.72 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.09 -28.41 67.8 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.8 mt -94.76 -20.02 19.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.553 -0.717 . . . . 0.0 110.73 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' MET . 95.2 m-20 -74.28 41.87 0.15 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.648 -1.282 . . . . 0.0 107.998 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 61' ' ' LEU . 100.0 mt-10 -59.76 -40.38 87.98 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.564 -0.854 . . . . 0.0 108.849 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.88 -19.42 61.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.68 32.44 64.23 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -93.43 -6.43 47.06 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.439 -1.036 . . . . 0.0 111.894 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.99 5.84 66.31 Favored Glycine 0 N--CA 1.499 2.862 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.86 175.48 8.01 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.519 ' HB ' HD23 ' A' ' 28' ' ' LEU . 5.7 t -135.44 130.47 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 O-C-N 120.422 -1.424 . . . . 0.0 109.104 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.548 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -97.73 155.62 16.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.693 -1.254 . . . . 0.0 108.867 -179.66 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 24.5 t80 -52.51 -22.77 5.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 76' ' ' VAL . 61.7 tt0 -80.69 -22.5 40.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.843 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' HD22 ' A' ' 61' ' ' LEU . 76.3 mt-10 -80.8 -52.03 7.96 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.49 -0.756 . . . . 0.0 109.552 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.85 -40.96 45.93 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.319 -0.953 . . . . 0.0 111.558 -178.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG12 ' HB1' ' B' ' 79' ' ' ALA . 58.9 t -53.94 -38.97 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 119.995 -1.691 . . . . 0.0 108.032 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -59.99 -37.15 71.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -69.98 -55.97 8.22 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -177.063 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.768 ' O ' HG22 ' A' ' 82' ' ' THR . 16.3 m -49.85 -36.39 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 120.513 -1.367 . . . . 0.0 107.725 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -63.3 -38.38 90.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -78.66 -24.25 45.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 45' ' ' LEU . 82.1 mt -85.83 -46.36 10.71 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 119.513 -1.992 . . . . 0.0 109.429 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 78' ' ' VAL . 4.8 t -57.49 -42.02 81.84 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.331 -0.856 . . . . 0.0 111.069 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 79' ' ' ALA . 31.0 m -60.05 -42.81 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.58 -1.325 . . . . 0.0 108.717 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.589 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.56 -31.03 70.16 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.05 -39.65 82.97 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.51 -0.744 . . . . 0.0 109.993 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' ND2' ' OH ' ' B' ' 26' ' ' TYR . 57.9 t-20 -60.16 -39.5 86.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.093 -1.005 . . . . 0.0 108.804 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.25 -39.77 87.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.064 -1.022 . . . . 0.0 109.456 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.44 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 61.1 t80 -83.17 -4.45 58.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.417 -0.802 . . . . 0.0 109.647 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.535 ' CE2' ' ND2' ' A' ' 92' ' ' ASN . 61.1 t80 -80.76 -9.01 59.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.949 . . . . 0.0 109.127 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -62.52 -7.66 5.0 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.318 -0.864 . . . . 0.0 109.73 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.13 -18.9 50.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.197 -0.939 . . . . 0.0 109.374 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.535 ' ND2' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p-10 -90.07 0.32 57.2 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.363 -0.835 . . . . 0.0 109.829 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.053 -1.03 . . . . 0.0 109.4 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.785 0 N-CA-C 119.987 2.755 . . . . 0.0 119.987 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -87.52 36.11 0.74 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.703 -0.881 . . . . 0.0 109.764 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.27 -42.35 95.22 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.194 -0.942 . . . . 0.0 110.932 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.483 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 59.9 tp -62.9 -41.95 99.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.65 -1.281 . . . . 0.0 109.716 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.38 -39.14 86.21 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.142 -0.974 . . . . 0.0 109.315 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -48.45 -45.82 37.0 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 122.027 0.918 . . . . 0.0 110.198 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.44 -29.13 65.63 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.5 ttt -70.73 -51.8 25.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.085 -1.635 . . . . 0.0 110.968 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.94 -28.43 68.91 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.545 -0.722 . . . . 0.0 110.302 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -58.51 6.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 110.151 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -52.46 -39.79 61.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.38 -1.45 . . . . 0.0 109.969 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.8 -39.89 87.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 120.949 -1.095 . . . . 0.0 112.131 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -78.97 -44.11 23.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.054 -1.654 . . . . 0.0 112.46 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.476 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.9 p -60.7 -40.17 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.801 -1.187 . . . . 0.0 108.889 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.588 ' CZ ' HD13 ' B' ' 28' ' ' LEU . 42.4 t80 -62.65 -40.15 96.12 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.705 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -70.09 -27.76 64.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.447 -1.408 . . . . 0.0 109.695 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.7 30.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.37 -0.832 . . . . 0.0 112.544 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.914 ' NE2' HD11 ' B' ' 28' ' ' LEU . 7.8 p-80 -86.46 -39.01 16.73 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.33 -0.856 . . . . 0.0 111.339 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' B' ' 18' ' ' HIS . 45.7 m -54.03 -29.29 43.17 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.382 -0.824 . . . . 0.0 112.632 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 11.26 25.67 Favored Glycine 0 N--CA 1.508 3.454 0 O-C-N 120.875 -1.141 . . . . 0.0 112.42 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -115.01 -73.38 0.65 Allowed 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 119.352 1.576 . . . . 0.0 108.931 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -87.75 75.81 8.89 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.016 -1.053 . . . . 0.0 108.234 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.56 -153.77 25.06 Favored Glycine 0 N--CA 1.487 2.042 0 C-N-CA 119.45 -1.357 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -75.94 157.49 33.12 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.877 -0.778 . . . . 0.0 110.248 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' H ' ' CD ' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -55.86 -50.79 69.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.646 -0.659 . . . . 0.0 112.0 -177.287 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 42.8 t80 -134.67 37.34 3.09 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.44 -1.412 . . . . 0.0 111.242 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.428 ' HZ2' ' H ' ' B' ' 28' ' ' LEU . 1.0 OUTLIER -139.52 142.84 37.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.01 -1.056 . . . . 0.0 108.717 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.914 HD11 ' NE2' ' B' ' 18' ' ' HIS . 4.1 tp -92.4 150.25 20.92 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.48 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 51.2 m -129.7 166.69 19.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.977 -1.077 . . . . 0.0 108.256 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -46.45 -33.0 3.63 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.067 -1.021 . . . . 0.0 109.567 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -82.95 -38.01 23.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.671 -1.268 . . . . 0.0 111.161 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' B' ' 29' ' ' SER . 33.6 mt-10 -70.21 -39.71 74.97 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 119.946 -1.721 . . . . 0.0 109.791 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.773 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.7 pp -59.56 -51.72 68.61 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.53 -1.356 . . . . 0.0 110.262 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.773 ' N ' HD12 ' B' ' 33' ' ' LEU . 76.3 tttt -60.32 -40.38 90.37 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.875 -1.141 . . . . 0.0 112.367 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.42 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 51.5 t0 -62.44 -40.45 96.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.996 -1.065 . . . . 0.0 110.676 -178.016 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' B' ' 18' ' ' HIS . 44.5 tp -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.673 -0.642 . . . . 0.0 111.678 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.744 HD12 HD22 ' B' ' 45' ' ' LEU . 4.0 mm? -70.25 -40.87 74.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.855 -1.153 . . . . 0.0 112.821 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.1 -22.87 60.48 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.024 -1.048 . . . . 0.0 112.651 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.2 m -59.62 -45.76 90.98 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 117.914 -1.514 . . . . 0.0 108.712 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.5 ' C ' HD12 ' B' ' 41' ' ' LEU . 61.7 mt-10 -106.96 -38.72 5.96 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.283 -0.886 . . . . 0.0 111.407 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.665 ' N ' HD12 ' B' ' 41' ' ' LEU . 8.2 mp -99.84 42.43 1.11 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.869 -1.144 . . . . 0.0 108.801 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.407 ' OG ' ' OE1' ' B' ' 48' ' ' GLN . 0.3 OUTLIER -60.02 -45.22 93.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.458 0.647 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.3 t -85.16 -19.5 31.68 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.474 -0.766 . . . . 0.0 111.863 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 1.9 t80 -89.72 -92.16 0.13 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.469 -1.395 . . . . 0.0 113.318 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.744 HD22 HD12 ' B' ' 37' ' ' LEU . 2.0 tp -36.91 157.4 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.403 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 33.2 t0 -93.54 102.84 15.05 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 122.437 2.38 . . . . 0.0 108.888 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -142.68 -55.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 O-C-N 120.586 -1.321 . . . . 0.0 110.065 179.249 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.462 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.3 pt20 -82.22 -35.92 27.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.764 -1.21 . . . . 0.0 109.772 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.644 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -68.92 -22.27 64.16 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.091 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 76.9 m-20 -141.42 91.91 2.42 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.87 70.22 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.95 -38.71 83.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.27 77.09 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.64 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -38.9 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.318 -1.488 . . . . 0.0 107.96 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -61.3 -40.14 93.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.329 -0.857 . . . . 0.0 110.793 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.49 -40.06 94.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.436 -1.415 . . . . 0.0 109.477 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.655 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 41.5 mt -70.8 -51.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.461 0.648 . . . . 0.0 111.789 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.421 ' O ' ' N ' ' B' ' 62' ' ' ASP . 3.0 tpt -60.65 -42.37 96.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.042 -1.036 . . . . 0.0 109.976 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.38 98.97 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.95 -26.43 67.52 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' B' ' 63' ' ' GLU . 42.6 mt -96.27 -20.19 18.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 110.488 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' B' ' 58' ' ' MET . 94.5 m-20 -74.31 42.1 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.78 -1.2 . . . . 0.0 108.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -60.07 -40.08 88.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.8 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.94 -19.17 61.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.59 32.38 64.53 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -93.91 -6.35 45.81 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.345 -1.091 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.55 6.56 66.54 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -127.0 175.13 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.505 ' HB ' HD23 ' B' ' 28' ' ' LEU . 5.3 t -134.96 130.75 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 O-C-N 120.258 -1.526 . . . . 0.0 109.064 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 70' ' ' ASP . 0.9 OUTLIER -97.82 155.7 16.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.677 -1.264 . . . . 0.0 108.735 -179.655 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 26.5 t80 -52.65 -22.74 5.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.563 -0.711 . . . . 0.0 109.304 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.459 ' O ' HG23 ' B' ' 76' ' ' VAL . 61.7 tt0 -80.64 -22.52 40.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.865 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.415 ' O ' HD22 ' B' ' 61' ' ' LEU . 77.9 mt-10 -81.11 -51.33 8.58 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.288 -0.882 . . . . 0.0 109.626 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -76.94 -41.68 42.35 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.343 -178.856 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.562 HG12 ' HB1' ' A' ' 79' ' ' ALA . 78.4 t -53.83 -38.67 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.041 -1.662 . . . . 0.0 108.104 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.9 t -60.05 -37.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.667 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' B' ' 80' ' ' ALA . 0.5 OUTLIER -69.96 -55.97 8.24 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -177.182 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.724 ' O ' HG22 ' B' ' 82' ' ' THR . 17.3 m -49.95 -35.54 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 120.602 -1.311 . . . . 0.0 107.607 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.58 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -63.17 -39.58 95.07 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 176.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -78.11 -24.29 47.57 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.502 HD13 HD11 ' B' ' 45' ' ' LEU . 81.0 mt -85.54 -47.12 10.19 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 119.577 -1.952 . . . . 0.0 109.559 -178.758 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.724 HG22 ' O ' ' B' ' 78' ' ' VAL . 5.1 t -56.59 -42.18 78.25 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.396 -0.815 . . . . 0.0 110.953 178.689 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.58 HG13 ' O ' ' B' ' 79' ' ' ALA . 28.4 m -60.18 -43.27 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.551 -1.343 . . . . 0.0 108.733 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.562 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.87 -30.61 70.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.488 -0.757 . . . . 0.0 108.987 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.2 -39.22 82.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.509 -0.745 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.412 ' ND2' ' OH ' ' A' ' 26' ' ' TYR . 57.8 t-20 -60.14 -39.52 86.6 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 108.921 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.121 -0.987 . . . . 0.0 109.398 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.443 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 63.7 t80 -82.94 -4.29 58.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.53 -0.731 . . . . 0.0 109.684 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.504 ' CE2' ' ND2' ' B' ' 92' ' ' ASN . 59.9 t80 -81.19 -8.99 59.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.124 -0.985 . . . . 0.0 109.071 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -62.04 -8.24 5.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.367 -0.833 . . . . 0.0 109.706 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.94 -18.85 48.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 0.0 109.41 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.504 ' ND2' ' CE2' ' B' ' 89' ' ' PHE . 37.0 p-10 -89.92 -0.04 57.34 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.261 -0.9 . . . . 0.0 109.756 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.873 -1.06 . . . . 0.0 109.373 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.444 0.64 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -80.02 -68.73 0.65 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.291 -0.88 . . . . 0.0 109.118 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -164.32 151.07 11.31 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.06 -1.025 . . . . 0.0 109.972 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.527 ' CD ' ' N ' ' X' ' 4' ' ' LYS . 2.5 mptp? -78.63 159.02 28.28 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.401 HD13 HG21 ' X' ' 5' ' ' ILE . 8.5 pt -91.58 125.9 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.902 -1.123 . . . . 0.0 110.251 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -120.8 28.18 8.08 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.667 ' O ' HG22 ' X' ' 10' ' ' ILE . 61.8 t90 -59.98 -50.25 74.48 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.134 -0.979 . . . . 0.0 111.398 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.738 ' OD1' HD11 ' A' ' 57' ' ' ILE . 13.3 t-20 -52.88 -27.94 20.88 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 119.275 -2.141 . . . . 0.0 107.884 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -24.59 63.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.667 HG22 ' O ' ' X' ' 7' ' ' TRP . 6.6 tt -53.29 -37.06 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 53.7 tp -65.68 -41.1 92.84 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.941 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.048 179.539 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.445 ' O ' ' OG1' ' Y' ' 3' ' ' THR . 2.4 mpt_? -133.35 153.34 51.68 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.568 -0.708 . . . . 0.0 109.61 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' Y' ' 2' ' ' ARG . 2.8 p 66.61 5.83 4.1 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.632 -0.668 . . . . 0.0 109.747 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -169.1 163.46 11.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.202 -0.936 . . . . 0.0 109.29 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 24.2 pt -136.13 136.35 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -132.52 21.84 4.32 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.297 -0.877 . . . . 0.0 109.575 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.663 ' O ' HG22 ' Y' ' 10' ' ' ILE . 20.5 p-90 -58.82 -40.25 83.6 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.713 -1.242 . . . . 0.0 108.056 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.613 ' OD1' HD11 ' B' ' 57' ' ' ILE . 22.8 t-20 -51.25 -30.55 18.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.072 -1.642 . . . . 0.0 107.846 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' Y' ' 12' ' ' SER . 56.9 tttm -59.79 -24.91 64.5 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.663 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -49.04 -40.08 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 64.0 tp -63.5 -40.05 96.04 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . 0.473 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.9 m . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.275 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.484 2.553 . . . . 0.0 119.484 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -102.08 22.32 13.34 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.462 -1.022 . . . . 0.0 109.568 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.38 89.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.038 -1.039 . . . . 0.0 110.683 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.4 -41.83 98.97 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.454 -1.404 . . . . 0.0 108.866 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.96 -38.99 87.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.528 -0.732 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.0 m -52.7 -44.56 66.37 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.475 0.655 . . . . 0.0 110.5 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.4 65.53 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ttt -71.33 -49.31 43.85 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.26 -1.525 . . . . 0.0 110.784 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.93 -24.6 63.39 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.686 -0.634 . . . . 0.0 110.577 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.693 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -68.44 -58.99 3.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 109.998 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 7.2 mp -47.91 -36.57 12.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.504 -1.372 . . . . 0.0 109.105 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.33 -39.97 79.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 O-C-N 121.387 -0.82 . . . . 0.0 112.26 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -83.57 -43.63 15.48 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 119.703 -1.873 . . . . 0.0 113.295 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 10' ' ' THR . 2.2 p -62.29 -41.86 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.312 -1.492 . . . . 0.0 109.014 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.658 ' CD1' HG13 ' A' ' 14' ' ' VAL . 7.8 m-30 -63.04 -39.37 94.55 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.125 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -60.21 -39.97 88.45 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.93 -1.106 . . . . 0.0 109.857 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.5 -55.39 16.24 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.902 . . . . 0.0 112.557 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.52 -41.23 55.72 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.993 -1.067 . . . . 0.0 111.371 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.9 t -62.35 -23.54 66.84 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.475 -0.766 . . . . 0.0 112.417 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.39 2.2 32.77 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.658 ' C ' ' H ' ' A' ' 23' ' ' GLY . 35.4 ttmt -124.65 -75.9 0.59 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.533 -0.981 . . . . 0.0 108.999 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -57.29 15.26 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.8 -1.187 . . . . 0.0 110.716 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.658 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -166.65 163.84 37.28 Favored Glycine 0 N--CA 1.485 1.911 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 31.2 t0 -77.72 162.17 27.18 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.503 -0.998 . . . . 0.0 108.64 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 27.7 tptp -67.76 84.45 0.2 Allowed 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ASP . 58.3 t80 -146.89 -55.0 0.24 Allowed 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.903 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -178.72 -176.35 0.46 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 tp -87.18 105.19 17.03 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.611 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 60.4 m -70.45 156.01 39.93 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.168 -1.583 . . . . 0.0 108.118 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.0 tttt -42.94 -30.35 0.4 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.594 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -25.54 28.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.654 -1.279 . . . . 0.0 109.643 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' A' ' 29' ' ' SER . 36.6 mt-10 -69.98 -42.42 73.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.804 -1.185 . . . . 0.0 109.898 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.8 pp -65.18 -41.7 94.36 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.103 0.954 . . . . 0.0 109.765 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.614 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.1 tttt -61.57 -46.88 88.01 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.59 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -68.61 -38.69 80.81 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.656 0.741 . . . . 0.0 110.423 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.613 HD23 ' CZ ' ' A' ' 74' ' ' PHE . 26.8 tp -60.94 -39.2 88.56 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.492 -0.755 . . . . 0.0 111.144 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -81.44 -48.76 11.47 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -65.8 -27.45 68.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.093 -1.004 . . . . 0.0 111.636 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.6 m -59.03 -46.18 88.87 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.17 -175.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -107.91 -15.26 14.58 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.296 -0.878 . . . . 0.0 111.696 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD13 HD23 ' A' ' 45' ' ' LEU . 22.6 mt -131.53 49.03 2.36 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.085 -1.009 . . . . 0.0 109.611 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.441 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 45.4 t -63.28 -49.98 71.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.609 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -64.24 -40.4 95.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.444 -0.785 . . . . 0.0 111.565 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' O ' ' O ' ' A' ' 45' ' ' LEU . 37.5 t80 -86.48 -101.28 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.701 -1.25 . . . . 0.0 111.068 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.604 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -8.54 133.89 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.079 0 CA-C-O 114.993 -2.432 . . . . 0.0 109.629 177.797 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.57 ' OD2' ' N ' ' X' ' 8' ' ' ASN . 42.3 m-20 -88.81 118.63 28.65 Favored 'General case' 0 N--CA 1.521 3.099 1 CA-C-N 127.785 4.811 . . . . 0.0 109.237 176.176 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 48' ' ' GLN . 71.5 t -146.9 -83.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.912 -1.117 . . . . 0.0 110.271 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.4 ' N ' HG12 ' A' ' 47' ' ' VAL . 2.6 pt20 -63.31 -41.64 98.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.419 -0.801 . . . . 0.0 112.058 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 20.5 mtmm -60.81 -39.09 87.65 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 120.697 -1.252 . . . . 0.0 108.12 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -123.26 91.37 3.47 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.25 70.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.26 -39.81 88.13 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.07 79.49 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.691 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -37.38 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.491 -1.381 . . . . 0.0 109.005 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.476 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 95.5 m-20 -64.7 -42.16 95.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.148 -0.97 . . . . 0.0 110.791 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.82 -39.64 93.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.986 -1.071 . . . . 0.0 109.581 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.738 HD11 ' OD1' ' X' ' 8' ' ' ASN . 5.7 mm -66.23 -56.55 14.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.692 -0.63 . . . . 0.0 111.618 -178.037 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -62.45 -36.14 81.5 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.038 -1.039 . . . . 0.0 111.586 -178.009 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -60.05 -41.95 93.4 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.16 -23.55 64.02 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 63' ' ' GLU . 32.5 mt -96.65 -25.2 15.66 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 110.476 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 58' ' ' MET . 13.0 t0 -73.01 50.17 0.26 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' LEU . 93.8 mt-10 -60.04 -40.18 88.49 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.912 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -78.39 -20.88 50.24 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.0 39.14 28.53 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 107.009 -2.436 . . . . 0.0 107.009 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 31.1 p-10 -94.27 -12.48 28.03 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.602 -0.94 . . . . 0.0 112.078 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.12 0.44 80.61 Favored Glycine 0 N--CA 1.504 3.221 0 O-C-N 120.788 -1.195 . . . . 0.0 110.928 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 37.7 mp0 -137.89 177.93 7.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.629 -1.512 . . . . 0.0 107.872 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.15 132.21 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.443 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' GLU . 29.6 t0 -95.87 147.78 23.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.409 -0.807 . . . . 0.0 109.128 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 13.5 t80 -46.58 -26.96 0.99 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.52 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 76' ' ' VAL . 94.8 mt-30 -77.59 -29.2 51.9 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.931 -1.106 . . . . 0.0 108.808 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.3 mt-10 -83.44 -45.92 13.1 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 122.24 1.019 . . . . 0.0 109.109 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.613 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 31.9 t80 -60.42 -49.88 75.81 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.641 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.755 HG12 ' HB1' ' B' ' 79' ' ' ALA . 55.9 t -61.2 -39.98 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.776 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 72' ' ' GLN . 45.4 t -56.35 -30.47 30.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.7 -1.25 . . . . 0.0 108.673 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.462 ' O ' HD13 ' A' ' 77' ' ' LEU . 0.5 OUTLIER -78.98 -56.06 4.67 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.338 -0.851 . . . . 0.0 112.792 -177.888 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.45 ' H ' HG13 ' A' ' 78' ' ' VAL . 3.9 m -51.46 -34.06 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.433 -1.417 . . . . 0.0 109.177 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.758 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -74.01 -39.83 63.34 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.538 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.8 -24.76 55.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.088 -1.007 . . . . 0.0 113.148 -176.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.541 HD22 HD11 ' A' ' 45' ' ' LEU . 2.5 pp -83.56 -40.09 19.56 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 119.762 -1.836 . . . . 0.0 109.906 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.432 ' N ' ' HG ' ' A' ' 81' ' ' LEU . 2.4 t -59.82 -41.51 91.47 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.33 -0.856 . . . . 0.0 110.343 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 6.8 m -58.89 -40.05 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.53 -25.83 64.22 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.49 -39.96 81.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 109.585 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -60.02 -39.85 87.25 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.428 -0.795 . . . . 0.0 109.321 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.97 -39.85 87.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.412 -0.805 . . . . 0.0 110.089 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' O ' ' CD1' ' A' ' 88' ' ' PHE . 6.6 t80 -89.11 -5.57 57.7 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.16 -0.963 . . . . 0.0 109.508 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CE2' ' O ' ' A' ' 93' ' ' SER . 28.0 t80 -89.85 -3.86 57.88 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 108.937 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.98 -39.85 87.1 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.615 -0.678 . . . . 0.0 109.699 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -67.86 -39.92 83.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.229 -0.919 . . . . 0.0 109.817 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.72 5.4 24.87 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.193 -0.942 . . . . 0.0 109.638 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.417 ' O ' ' CE2' ' A' ' 89' ' ' PHE . 35.2 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.611 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.846 0 N-CA-C 119.489 2.556 . . . . 0.0 119.489 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -102.17 22.01 13.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.568 -0.96 . . . . 0.0 109.25 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.9 -40.64 89.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -0.95 . . . . 0.0 110.639 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.34 -41.89 98.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.541 -1.349 . . . . 0.0 108.747 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.77 -39.25 88.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.84 . . . . 0.0 109.027 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' B' ' 10' ' ' THR . 23.5 m -52.54 -44.47 65.82 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.506 0.67 . . . . 0.0 110.703 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.99 64.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ttt -71.65 -49.2 42.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.295 -1.503 . . . . 0.0 110.666 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.86 -24.23 63.4 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.58 -0.7 . . . . 0.0 110.596 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.714 ' O ' HG12 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -68.93 -58.75 3.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.12 . . . . 0.0 110.038 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 7.2 mp -48.3 -36.48 14.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.376 -1.452 . . . . 0.0 108.919 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -69.38 -39.91 79.4 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 O-C-N 121.47 -0.769 . . . . 0.0 112.53 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -83.52 -43.74 15.42 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.676 -1.89 . . . . 0.0 113.448 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.714 HG12 ' O ' ' B' ' 10' ' ' THR . 2.2 p -62.23 -41.68 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.404 -1.435 . . . . 0.0 108.975 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.677 ' CD1' HG13 ' B' ' 14' ' ' VAL . 7.7 m-30 -63.2 -39.64 95.21 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.086 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -59.89 -40.01 87.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.18 -55.56 14.67 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.236 -0.915 . . . . 0.0 112.598 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -75.66 -41.26 54.46 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.114 -0.991 . . . . 0.0 111.477 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.0 t -62.07 -23.94 66.8 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.325 -0.859 . . . . 0.0 112.437 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.26 2.25 33.03 Favored Glycine 0 N--CA 1.504 3.206 0 O-C-N 120.732 -1.23 . . . . 0.0 110.092 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.656 ' C ' ' H ' ' B' ' 23' ' ' GLY . 35.7 ttmt -124.67 -75.64 0.6 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.455 -1.026 . . . . 0.0 108.949 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.43 15.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.748 -1.22 . . . . 0.0 110.795 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.656 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -166.45 164.2 37.47 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 31.8 t0 -78.01 162.24 26.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.575 -0.956 . . . . 0.0 108.597 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 27.6 tptp -67.87 83.77 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' B' ' 24' ' ' ASP . 60.9 t80 -146.12 -55.28 0.28 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.999 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -178.49 -176.72 0.51 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tp -86.61 105.45 16.88 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.601 ' H ' ' CD ' ' B' ' 32' ' ' GLU . 67.4 m -70.77 156.08 39.97 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.167 -1.583 . . . . 0.0 108.04 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.431 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 66.3 tttt -43.14 -30.35 0.45 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -25.51 28.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.622 -1.298 . . . . 0.0 109.701 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' B' ' 29' ' ' SER . 36.3 mt-10 -69.97 -42.42 73.15 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.654 -1.279 . . . . 0.0 109.851 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.63 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.7 pp -65.17 -41.6 94.49 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.162 0.982 . . . . 0.0 109.879 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.63 ' N ' HD12 ' B' ' 33' ' ' LEU . 79.2 tttt -61.81 -46.83 87.8 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.538 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 t0 -68.68 -38.61 80.49 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.729 0.776 . . . . 0.0 110.401 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.613 HD23 ' CZ ' ' B' ' 74' ' ' PHE . 27.7 tp -61.07 -39.0 88.22 Favored 'General case' 0 C--N 1.286 -2.188 0 O-C-N 121.474 -0.766 . . . . 0.0 111.273 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -81.54 -48.81 11.33 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.967 -1.083 . . . . 0.0 113.674 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.77 -27.26 68.16 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.102 0.954 . . . . 0.0 111.727 -176.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 97.0 m -59.13 -46.48 88.24 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.027 -175.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -107.69 -15.29 14.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.307 -0.871 . . . . 0.0 111.714 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 mt -131.1 48.12 2.46 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.084 -1.01 . . . . 0.0 109.789 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 45.2 t -62.92 -50.26 71.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.766 -179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.5 t -64.18 -40.01 95.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.798 . . . . 0.0 111.531 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.556 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.4 t80 -87.7 -87.77 0.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.598 -1.314 . . . . 0.0 112.12 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.559 HD11 HD22 ' B' ' 81' ' ' LEU . 0.2 OUTLIER -31.06 141.01 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.859 0 CA-C-O 116.85 -1.547 . . . . 0.0 108.326 -174.899 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' Y' ' 7' ' ' TRP . 48.3 m-20 -88.97 116.82 27.54 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 125.055 3.571 . . . . 0.0 108.712 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.402 HG12 ' N ' ' B' ' 48' ' ' GLN . 76.1 t -146.51 -82.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.076 -1.015 . . . . 0.0 110.223 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.402 ' N ' HG12 ' B' ' 47' ' ' VAL . 2.7 pt20 -63.56 -41.68 98.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.547 -0.72 . . . . 0.0 112.027 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -60.56 -39.5 88.2 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.893 -1.129 . . . . 0.0 107.976 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 89.6 m-20 -123.48 91.39 3.47 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.63 70.55 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.23 -39.96 88.53 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.06 80.2 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 118.976 -1.09 . . . . 0.0 109.502 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -37.73 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.634 -1.291 . . . . 0.0 108.952 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.431 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.3 m-20 -64.47 -42.41 95.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 0.0 110.899 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.52 -40.0 94.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.047 -1.033 . . . . 0.0 109.619 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.613 HD11 ' OD1' ' Y' ' 8' ' ' ASN . 5.6 mm -65.99 -56.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.861 -0.524 . . . . 0.0 111.745 -178.161 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -62.67 -36.24 82.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.998 -1.064 . . . . 0.0 111.395 -177.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -59.95 -42.41 94.0 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.33 -21.92 62.62 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 63' ' ' GLU . 34.0 mt -97.84 -25.5 15.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.584 -0.698 . . . . 0.0 110.322 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' B' ' 58' ' ' MET . 13.5 t0 -72.97 50.12 0.26 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' B' ' 61' ' ' LEU . 93.5 mt-10 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.059 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -78.44 -21.04 49.75 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.01 39.24 28.26 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 106.899 -2.48 . . . . 0.0 106.899 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.441 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 33.1 p-10 -94.21 -12.51 28.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.663 -0.904 . . . . 0.0 112.064 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.8 80.94 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.774 -1.204 . . . . 0.0 110.992 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 38.1 mp0 -138.04 178.21 7.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.508 -1.584 . . . . 0.0 107.842 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -121.36 132.11 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 0.0 109.422 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' B' ' 73' ' ' GLU . 29.8 t0 -95.88 147.7 23.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.127 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 13.2 t80 -46.25 -27.23 0.96 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.595 -0.691 . . . . 0.0 109.476 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.52 ' O ' HG23 ' B' ' 76' ' ' VAL . 94.0 mt-30 -77.61 -28.94 51.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.9 -1.125 . . . . 0.0 108.79 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-10 -83.67 -45.96 12.84 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.266 1.032 . . . . 0.0 108.916 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.613 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 31.9 t80 -60.5 -49.81 76.07 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.76 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.758 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.7 t -61.26 -40.01 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.519 -0.738 . . . . 0.0 110.741 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 72' ' ' GLN . 46.6 t -55.88 -30.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 O-C-N 120.661 -1.274 . . . . 0.0 108.76 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.456 ' O ' HD13 ' B' ' 77' ' ' LEU . 0.5 OUTLIER -79.03 -56.23 4.54 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.369 -0.832 . . . . 0.0 112.796 -177.759 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.429 ' H ' HG13 ' B' ' 78' ' ' VAL . 3.5 m -51.18 -33.81 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.412 -1.43 . . . . 0.0 109.197 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.755 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.651 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.417 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -76.51 -24.7 53.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.559 HD22 HD11 ' B' ' 45' ' ' LEU . 2.7 pp -83.15 -39.97 20.34 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 119.719 -1.863 . . . . 0.0 109.827 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.421 ' N ' ' HG ' ' B' ' 81' ' ' LEU . 2.2 t -60.04 -42.16 93.84 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 8.8 m -58.58 -39.82 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.404 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -70.04 -25.5 63.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.52 -39.95 80.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.222 -0.924 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.93 -39.89 87.01 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.303 -0.873 . . . . 0.0 109.261 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.07 -39.87 87.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.863 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' CD1' ' O ' ' B' ' 88' ' ' PHE . 6.1 t80 -89.06 -5.33 57.95 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.066 -1.021 . . . . 0.0 109.648 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' B' ' 93' ' ' SER . 27.7 t80 -90.0 -3.98 57.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.071 -1.018 . . . . 0.0 108.926 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -60.01 -39.95 87.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.524 -0.735 . . . . 0.0 109.568 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -67.6 -39.84 84.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.184 -0.948 . . . . 0.0 109.946 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -83.73 5.43 24.77 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.22 -0.925 . . . . 0.0 109.672 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.412 ' O ' ' CE2' ' B' ' 89' ' ' PHE . 34.4 t . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.81 -1.09 . . . . 0.0 109.69 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' X' X ' 1' ' ' THR . . . . . 0.5 ' H2 ' ' HE2' ' X' ' 4' ' ' LYS . 5.5 t . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' X' ' 3' ' ' THR . 65.3 ttt-85 -89.04 52.89 2.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.072 -1.018 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 3' ' ' THR . . . . . 0.425 ' O ' HG22 ' X' ' 3' ' ' THR . 39.6 m 44.25 82.91 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.112 -0.992 . . . . 0.0 110.074 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.513 ' CD ' ' N ' ' X' ' 4' ' ' LYS . 1.5 mptp? -61.63 -50.88 70.78 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.254 -0.904 . . . . 0.0 110.464 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 50.7 pt -145.4 -39.64 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.816 -1.178 . . . . 0.0 110.645 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 5.6 p-10 37.92 24.76 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.423 -0.798 . . . . 0.0 110.559 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.693 ' O ' HG22 ' X' ' 10' ' ' ILE . 46.3 t90 -60.94 -52.79 63.52 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.874 -1.141 . . . . 0.0 110.493 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.418 ' CB ' ' OD1' ' A' ' 46' ' ' ASP . 1.7 t30 -52.44 -29.51 24.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 119.578 -1.951 . . . . 0.0 108.263 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -54.82 -24.95 25.22 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.693 HG22 ' O ' ' X' ' 7' ' ' TRP . 4.0 tt -53.55 -38.3 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.462 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 38.4 tp -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.146 179.597 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . 0.442 HG22 ' H ' ' Y' ' 2' ' ' ARG . 2.8 m . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.442 ' H ' HG22 ' Y' ' 1' ' ' THR . 66.1 mtp85 49.85 -147.7 0.33 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.176 -0.953 . . . . 0.0 109.232 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 66.6 p -84.14 160.14 20.94 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.772 -1.205 . . . . 0.0 109.851 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.505 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 4.9 mptp? -83.56 53.72 2.62 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.505 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 0.1 OUTLIER 45.52 102.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 CA-C-O 122.424 1.107 . . . . 0.0 109.604 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -123.78 28.11 7.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.841 -1.162 . . . . 0.0 107.972 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.711 ' O ' HG22 ' Y' ' 10' ' ' ILE . 7.7 p-90 -58.07 -44.42 87.5 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.817 -1.177 . . . . 0.0 109.032 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.512 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 12.4 t-20 -51.24 -28.64 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 119.857 -1.777 . . . . 0.0 107.952 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -58.09 -26.12 62.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.711 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -49.79 -39.88 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 177.481 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 29.2 tp -70.16 -39.95 75.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.704 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 1.4 p . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.958 0 N-CA-C 119.308 2.483 . . . . 0.0 119.308 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -107.02 -104.41 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.752 -1.44 . . . . 0.0 110.162 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.91 -42.71 94.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.715 -1.241 . . . . 0.0 111.76 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.97 -41.18 74.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.696 -1.252 . . . . 0.0 111.138 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -67.07 -37.08 83.37 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.22 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -59.87 -47.13 86.99 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.08 -27.23 64.45 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.45 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.6 ppp? -75.87 -44.62 39.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 119.97 -1.707 . . . . 0.0 109.849 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.44 -36.39 71.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.274 -0.891 . . . . 0.0 110.864 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -61.5 -54.93 36.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.476 -1.39 . . . . 0.0 109.772 -178.616 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 10' ' ' THR . 9.0 mp -47.92 -40.24 21.41 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.269 -1.519 . . . . 0.0 108.276 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.71 -27.93 43.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 O-C-N 120.772 -1.205 . . . . 0.0 109.346 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 10' ' ' THR . 59.5 t-20 -76.26 -56.18 4.88 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.14 -0.975 . . . . 0.0 112.069 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 2.5 p -62.21 -46.11 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.503 -0.748 . . . . 0.0 110.389 -178.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.493 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 19.6 m-85 -59.98 -40.13 88.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.258 -0.901 . . . . 0.0 109.899 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -59.98 -38.65 83.16 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.023 -1.673 . . . . 0.0 109.909 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.48 21.64 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.411 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 87.4 m-70 -82.98 -41.68 18.48 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.678 -1.263 . . . . 0.0 111.637 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -60.43 -33.98 73.31 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.12 10.21 58.25 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 120.784 -1.198 . . . . 0.0 111.028 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -122.95 -70.81 0.75 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.301 -1.117 . . . . 0.0 110.003 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 70.2 mm-40 -78.6 51.17 1.04 Allowed 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.764 -1.21 . . . . 0.0 109.338 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.98 -142.49 7.26 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.63 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 68' ' ' GLU . 96.2 m-20 -83.6 158.33 21.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.757 -0.849 . . . . 0.0 110.927 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -51.97 -59.85 3.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.767 -0.583 . . . . 0.0 111.258 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.29 26.56 9.99 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 121.263 -0.898 . . . . 0.0 111.968 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -140.34 146.35 38.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 108.476 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -94.03 165.05 12.83 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.602 -177.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 73.8 m -131.89 162.24 31.1 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.062 -1.024 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -47.5 -38.56 14.14 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.287 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -79.94 -27.26 39.83 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 119.574 -1.954 . . . . 0.0 110.342 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.9 mt-10 -69.23 -40.04 78.19 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 121.168 -0.958 . . . . 0.0 110.374 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 28' ' ' LEU . 3.2 pp -66.9 -40.95 87.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.934 -1.104 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 119.849 -0.741 . . . . 0.0 112.223 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 36' ' ' LEU . 1.9 p30 -81.18 -34.02 32.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.567 -1.333 . . . . 0.0 111.147 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 HG22 ' A' ' 14' ' ' VAL . 26.3 tp -61.75 -51.46 68.23 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.911 -1.118 . . . . 0.0 109.319 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.01 -41.63 74.07 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.954 0.883 . . . . 0.0 111.267 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -69.61 -39.99 76.88 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.768 0.794 . . . . 0.0 111.737 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.5 m -60.12 -49.66 76.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.556 -0.715 . . . . 0.0 111.564 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -99.94 -17.04 17.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.145 -0.972 . . . . 0.0 111.771 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -135.81 57.51 1.78 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.843 -1.161 . . . . 0.0 110.332 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.5 p -70.0 -42.11 73.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.254 -0.904 . . . . 0.0 110.107 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.8 t -72.33 -43.89 63.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.384 -0.822 . . . . 0.0 111.984 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.582 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -81.8 -105.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.513 -1.367 . . . . 0.0 111.127 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.779 HD11 HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -9.13 129.51 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 0 CA-C-O 115.036 -2.411 . . . . 0.0 109.257 178.009 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.579 ' O ' ' OD1' ' A' ' 46' ' ' ASP . 55.5 p-10 -91.44 110.09 21.39 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-N 127.807 4.821 . . . . 0.0 110.313 177.423 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.501 HG23 ' N ' ' A' ' 48' ' ' GLN . 11.5 m -144.79 -41.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.22 -1.55 . . . . 0.0 110.754 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.501 ' N ' HG23 ' A' ' 47' ' ' VAL . 3.2 tm0? -96.77 -44.13 7.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.02 -1.05 . . . . 0.0 111.581 -177.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -66.41 -19.14 65.72 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.919 -1.113 . . . . 0.0 108.122 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.28 88.11 2.19 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.87 78.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.422 -0.799 . . . . 0.0 109.027 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.82 -39.89 86.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.69 -40.07 78.64 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.458 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -38.27 82.16 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 O-C-N 120.803 -1.185 . . . . 0.0 108.853 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.825 -1.172 . . . . 0.0 109.383 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -64.43 -40.12 95.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.322 -0.861 . . . . 0.0 109.478 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.7 mt -67.71 -56.11 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.693 -0.63 . . . . 0.0 111.644 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -39.46 86.73 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.906 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.54 91.08 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.56 -28.51 69.69 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.3 mt -86.74 -29.73 22.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.498 -0.752 . . . . 0.0 110.528 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 12.5 t0 -70.69 50.33 0.13 Allowed 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 61' ' ' LEU . 99.8 mt-10 -59.75 -39.92 86.38 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.6 -19.28 62.86 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.16 32.4 23.23 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 11.3 m-20 -93.06 -123.73 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.8 22.14 0.27 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 107.017 -2.433 . . . . 0.0 107.017 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' OE2' ' OD2' ' A' ' 24' ' ' ASP . 40.0 mt-10 -133.27 175.08 9.72 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.9 t -128.39 130.01 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.879 -1.138 . . . . 0.0 108.048 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.4 168.65 10.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.12 -0.987 . . . . 0.0 108.789 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -32.09 69.68 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -74.54 -29.24 61.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.443 -1.411 . . . . 0.0 109.933 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 92.4 mt-10 -83.35 -36.85 24.06 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 122.133 0.968 . . . . 0.0 109.385 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.05 -44.24 48.79 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.98 0.895 . . . . 0.0 110.956 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.805 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -60.03 -40.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.984 -177.577 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 73' ' ' GLU . 10.9 m -61.84 -30.75 49.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.354 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -69.98 -58.22 4.1 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.309 -0.869 . . . . 0.0 111.734 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.511 ' O ' HG22 ' A' ' 82' ' ' THR . 20.8 m -58.7 -31.12 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.192 -0.942 . . . . 0.0 110.07 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.845 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -71.87 -40.13 69.17 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-O 121.82 0.819 . . . . 0.0 111.013 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.95 -26.64 48.93 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -176.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 45' ' ' LEU . 3.0 pp -85.19 -39.59 17.65 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 119.908 -1.745 . . . . 0.0 110.433 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 83' ' ' VAL . 1.7 t -54.02 -49.93 67.79 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.057 -1.027 . . . . 0.0 109.435 178.04 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.584 ' O ' ' ND2' ' A' ' 86' ' ' ASN . 10.4 m -55.68 -40.24 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 CA-C-O 121.891 0.853 . . . . 0.0 108.825 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -65.29 -22.64 66.87 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.653 -0.654 . . . . 0.0 109.821 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.9 t -69.84 -40.01 76.08 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.187 -0.945 . . . . 0.0 110.629 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.584 ' ND2' ' O ' ' A' ' 83' ' ' VAL . 13.8 p30 -66.4 -40.2 89.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.75 -1.219 . . . . 0.0 109.413 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.458 ' N ' ' OD1' ' A' ' 86' ' ' ASN . 26.3 t-20 -65.62 -37.76 87.5 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.475 -0.766 . . . . 0.0 110.734 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CE1' ' OE2' ' A' ' 91' ' ' GLU . 21.4 t80 -88.61 -6.84 57.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 110.458 -177.819 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -94.99 -19.87 19.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.06 -1.025 . . . . 0.0 109.831 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -87.9 -14.77 38.48 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.211 -0.93 . . . . 0.0 110.596 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' OE2' ' CE1' ' A' ' 88' ' ' PHE . 14.6 pt-20 -74.96 156.79 35.92 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.611 -1.306 . . . . 0.0 109.069 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.4 m120 53.75 29.92 10.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.412 -0.805 . . . . 0.0 108.975 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.526 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.999 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -107.03 -104.24 0.34 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.704 -1.468 . . . . 0.0 110.201 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.9 -43.0 95.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.646 -1.284 . . . . 0.0 111.583 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.74 -41.23 75.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.795 -1.191 . . . . 0.0 111.425 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.05 -36.66 82.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.611 -1.306 . . . . 0.0 109.357 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 97.3 m -59.91 -47.53 85.41 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.417 -0.802 . . . . 0.0 110.312 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -27.35 64.66 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.5 ppp? -75.36 -45.03 41.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.985 -1.697 . . . . 0.0 109.827 -178.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -71.43 -36.51 71.32 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 111.051 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.492 ' O ' ' N ' ' B' ' 13' ' ' ASN . 0.6 OUTLIER -61.06 -55.13 36.28 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.578 -1.326 . . . . 0.0 109.855 -178.724 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.442 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.9 mp -47.96 -40.14 21.4 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.246 -1.534 . . . . 0.0 108.228 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.77 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.78 -1.2 . . . . 0.0 109.391 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 10' ' ' THR . 60.5 t-20 -76.31 -55.98 5.06 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.028 -1.045 . . . . 0.0 112.0 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 2.8 p -62.3 -46.23 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 O-C-N 121.414 -0.804 . . . . 0.0 110.356 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.483 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 19.9 m-85 -59.88 -40.0 87.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.853 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -60.34 -38.44 83.8 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.956 -1.715 . . . . 0.0 109.745 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.09 -56.47 21.75 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.407 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 87.2 m-70 -82.92 -41.7 18.57 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.625 -1.297 . . . . 0.0 111.769 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -60.52 -33.69 73.0 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 10.08 57.77 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.713 -1.242 . . . . 0.0 110.965 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -122.85 -71.09 0.74 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.289 -1.124 . . . . 0.0 109.981 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 32' ' ' GLU . 70.4 mm-40 -78.11 51.04 0.95 Allowed 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.782 -1.199 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.76 -142.35 7.21 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.302 -1.428 . . . . 0.0 111.746 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.35 158.05 22.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.751 -0.852 . . . . 0.0 110.929 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -52.16 -59.9 3.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.678 -0.639 . . . . 0.0 111.018 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -114.9 25.92 10.56 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.244 -0.91 . . . . 0.0 112.019 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -140.16 146.3 38.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.685 -1.259 . . . . 0.0 108.515 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.415 HD21 ' N ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -93.86 165.08 12.85 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.8 -177.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 73.1 m -131.84 162.17 31.2 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.982 -1.074 . . . . 0.0 111.125 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -47.68 -38.27 14.68 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.31 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -80.09 -27.39 39.28 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.639 -1.913 . . . . 0.0 110.34 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 29' ' ' SER . 51.6 mt-10 -69.12 -40.3 78.39 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.093 -1.004 . . . . 0.0 110.199 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.415 ' N ' HD21 ' B' ' 28' ' ' LEU . 3.2 pp -66.71 -41.13 88.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -59.97 -40.09 87.86 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.151 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 1.8 p30 -80.75 -34.04 34.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.654 -1.278 . . . . 0.0 111.377 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.478 HD11 HG22 ' B' ' 14' ' ' VAL . 30.9 tp -61.62 -51.47 68.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.696 -1.252 . . . . 0.0 109.219 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.15 -41.69 73.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.899 0.857 . . . . 0.0 111.223 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -69.53 -40.15 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.787 0.803 . . . . 0.0 111.829 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.6 m -59.87 -49.82 76.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.477 -0.765 . . . . 0.0 111.586 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.81 -17.03 17.86 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.056 -1.028 . . . . 0.0 111.732 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 88.6 mt -135.5 57.61 1.79 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.779 -1.201 . . . . 0.0 110.347 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 99.8 p -69.95 -42.38 73.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 0.0 110.177 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 38.7 t -72.31 -43.19 64.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.823 . . . . 0.0 112.069 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.542 ' O ' ' C ' ' B' ' 45' ' ' LEU . 36.6 t80 -82.82 -92.78 0.07 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.479 -1.388 . . . . 0.0 112.312 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.821 HD11 HD22 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -31.47 136.48 0.05 Allowed 'General case' 0 N--CA 1.515 2.824 0 CA-C-O 116.889 -1.529 . . . . 0.0 107.988 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.539 ' O ' ' OD1' ' B' ' 46' ' ' ASP . 52.6 p-10 -91.28 109.33 20.6 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 124.957 3.526 . . . . 0.0 109.936 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.49 HG23 ' N ' ' B' ' 48' ' ' GLN . 13.3 m -144.92 -40.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.434 -1.416 . . . . 0.0 110.333 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.49 ' N ' HG23 ' B' ' 47' ' ' VAL . 3.1 tm0? -97.14 -44.21 7.05 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.15 -0.969 . . . . 0.0 111.65 -178.014 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.44 ' NZ ' HD13 ' Y' ' 5' ' ' ILE . 52.8 mtmt -66.36 -19.39 65.79 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -140.09 88.14 2.2 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.87 77.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.07 -39.84 87.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.53 -41.07 80.16 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 118.871 -1.131 . . . . 0.0 109.236 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -38.39 82.41 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.499 0 O-C-N 120.865 -1.147 . . . . 0.0 109.083 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.87 -40.24 87.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.318 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -64.51 -39.95 94.72 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.97 -55.88 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.686 -0.634 . . . . 0.0 111.664 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -39.66 86.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.2 -0.938 . . . . 0.0 109.869 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -40.48 91.47 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.452 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 79.0 tt0 -65.7 -26.11 67.62 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.0 mt -88.34 -29.78 20.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.457 -0.777 . . . . 0.0 110.286 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 12.8 t0 -71.0 50.82 0.14 Allowed 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.9 mt-10 -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.29 -19.58 63.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.07 32.64 22.89 Favored Glycine 0 N--CA 1.482 1.732 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 11.8 m-20 -93.11 -123.77 0.09 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.47 22.11 0.28 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 106.984 -2.446 . . . . 0.0 106.984 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.22 175.52 9.32 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -96.35 168.59 10.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.189 -0.945 . . . . 0.0 108.666 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -31.74 69.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -74.68 -29.13 61.12 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.349 -1.47 . . . . 0.0 109.901 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 76' ' ' VAL . 93.1 mt-10 -83.55 -36.08 24.27 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 122.206 1.003 . . . . 0.0 109.441 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.86 -44.48 40.51 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 110.855 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.845 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.8 p -59.87 -40.1 81.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.486 -0.759 . . . . 0.0 109.931 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.452 ' N ' HG13 ' B' ' 75' ' ' VAL . 11.5 m -61.71 -30.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.476 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.09 -58.06 4.24 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.322 -0.861 . . . . 0.0 111.781 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.524 ' O ' HG22 ' B' ' 82' ' ' THR . 18.3 m -58.71 -31.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.25 -0.906 . . . . 0.0 110.049 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.805 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -71.71 -40.06 69.73 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.7 0.762 . . . . 0.0 111.003 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.81 -26.77 49.79 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -176.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.821 HD22 HD11 ' B' ' 45' ' ' LEU . 2.9 pp -85.11 -40.08 17.18 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 119.874 -1.766 . . . . 0.0 110.194 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.524 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.8 t -53.82 -49.75 67.69 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.78 -1.2 . . . . 0.0 109.449 178.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.598 ' O ' ' ND2' ' B' ' 86' ' ' ASN . 13.8 m -55.83 -40.31 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.286 -0.884 . . . . 0.0 109.006 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.431 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -65.82 -22.2 66.54 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 0.0 109.637 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 t -69.92 -39.88 75.9 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.536 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.598 ' ND2' ' O ' ' B' ' 83' ' ' VAL . 14.4 p30 -66.27 -40.05 89.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.7 -1.25 . . . . 0.0 109.361 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.452 ' N ' ' OD1' ' B' ' 86' ' ' ASN . 26.4 t-20 -65.98 -37.25 85.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.421 ' CE1' ' OE2' ' B' ' 91' ' ' GLU . 20.8 t80 -88.68 -6.96 57.12 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.293 -0.88 . . . . 0.0 110.514 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -94.83 -19.9 19.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.045 . . . . 0.0 109.769 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -87.93 -14.78 38.37 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.154 -0.966 . . . . 0.0 110.635 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.421 ' OE2' ' CE1' ' B' ' 88' ' ' PHE . 14.5 pt-20 -74.86 156.83 36.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.747 -1.221 . . . . 0.0 109.125 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 33.7 m120 53.6 29.93 10.04 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.522 -0.736 . . . . 0.0 109.023 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.453 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -78.49 148.8 33.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.157 -0.964 . . . . 0.0 109.778 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m 67.54 -0.03 2.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.397 -0.814 . . . . 0.0 110.019 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -89.8 142.49 27.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.075 -1.016 . . . . 0.0 108.914 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.473 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.1 pt -119.53 125.49 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -116.57 14.15 15.43 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.247 -0.908 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.683 ' O ' HG22 ' X' ' 10' ' ' ILE . 41.9 t90 -60.12 -51.08 71.12 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.971 -1.081 . . . . 0.0 110.842 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.796 ' ND2' HD22 ' A' ' 81' ' ' LEU . 0.4 OUTLIER -52.07 -32.41 34.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 119.763 -1.835 . . . . 0.0 108.111 -179.619 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' X' ' 12' ' ' SER . 23.8 ttpp -61.66 -24.48 66.77 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.139 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.683 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -48.78 -38.07 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.419 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.0 tp -68.54 -39.96 80.9 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.528 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.3 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.211 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' Y' ' 2' ' ' ARG . 1.8 t . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.53 ' N ' ' OG1' ' Y' ' 1' ' ' THR . 60.3 ttt85 -59.99 -45.19 93.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.236 -0.915 . . . . 0.0 108.917 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 13.9 t -154.4 161.83 41.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.873 . . . . 0.0 109.078 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -117.53 37.44 3.91 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.594 -0.692 . . . . 0.0 109.371 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.504 ' O ' ' CG1' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER 47.96 101.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-O 122.214 1.007 . . . . 0.0 109.291 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -105.77 17.2 24.09 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.704 -1.247 . . . . 0.0 108.782 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.705 ' O ' HG22 ' Y' ' 10' ' ' ILE . 49.9 t90 -60.07 -49.97 75.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.548 -0.72 . . . . 0.0 110.734 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.654 ' CG ' HD11 ' B' ' 57' ' ' ILE . 11.9 t-20 -52.23 -37.17 54.41 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 119.918 -1.739 . . . . 0.0 108.987 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' Y' ' 12' ' ' SER . 28.1 ttmt -56.36 -24.7 45.93 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.705 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.33 -31.99 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' B' ' 80' ' ' ALA . 0.8 OUTLIER -63.7 -40.9 97.93 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.715 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . 0.43 ' O ' ' O ' ' Y' ' 9' ' ' LYS . 54.5 p . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.36 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.49 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.79 0 N-CA-C 119.545 2.578 . . . . 0.0 119.545 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -75.24 165.4 25.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.104 -1.233 . . . . 0.0 108.963 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 39.9 mp0 -59.99 -43.04 95.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.153 -0.967 . . . . 0.0 111.177 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.94 -39.97 93.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.356 -1.465 . . . . 0.0 110.124 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 98.7 mt-10 -64.27 -33.13 75.1 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.864 -1.148 . . . . 0.0 109.438 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.91 -45.4 92.69 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.842 0.829 . . . . 0.0 109.858 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.67 -32.05 70.46 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -71.74 -49.72 36.62 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.98 -36.02 74.87 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.693 -0.63 . . . . 0.0 111.481 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.83 -54.7 34.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.787 -1.195 . . . . 0.0 110.086 -178.652 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.7 mp -47.83 -39.79 19.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.468 -1.395 . . . . 0.0 108.506 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.8 -40.08 86.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.443 -0.786 . . . . 0.0 112.041 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.06 -49.09 12.27 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.886 -1.758 . . . . 0.0 112.731 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -61.33 -37.48 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.548 -1.345 . . . . 0.0 108.823 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 4.8 m-30 -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.12 -32.99 74.76 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.222 -0.924 . . . . 0.0 110.762 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.98 62.33 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.013 -1.055 . . . . 0.0 112.159 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -80.26 -43.35 21.51 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.065 -1.022 . . . . 0.0 111.652 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -60.03 -24.6 64.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.89 5.41 61.71 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 120.493 -1.379 . . . . 0.0 112.326 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -122.74 -61.97 1.4 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 119.335 1.567 . . . . 0.0 110.168 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.94 41.07 1.03 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.862 -1.149 . . . . 0.0 110.49 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.69 -152.99 9.3 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.387 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.02 161.88 18.74 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -54.79 -50.03 69.5 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.21 -0.931 . . . . 0.0 111.657 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' O ' ' CG ' ' A' ' 26' ' ' TYR . 84.6 t80 -116.86 23.74 11.72 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.647 -1.283 . . . . 0.0 112.605 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -137.11 144.39 43.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.356 -1.465 . . . . 0.0 109.223 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -92.09 163.14 14.07 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.579 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.9 p -132.12 164.38 26.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.123 -0.986 . . . . 0.0 110.48 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -48.69 -39.96 26.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.353 -0.842 . . . . 0.0 111.573 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CB ' ' NZ ' ' A' ' 31' ' ' LYS . 1.7 ttpm? -78.56 -29.64 46.39 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.737 -1.852 . . . . 0.0 110.056 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HB2' ' H ' ' A' ' 29' ' ' SER . 59.1 mt-10 -69.96 -40.03 75.65 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 111.298 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.65 -41.7 99.19 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.321 -1.487 . . . . 0.0 109.177 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -64.06 -39.96 95.22 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.14 -0.975 . . . . 0.0 112.741 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.39 -43.77 48.32 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.808 -1.182 . . . . 0.0 112.449 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.13 -48.28 80.8 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.345 -0.847 . . . . 0.0 110.689 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.83 HD12 HD22 ' A' ' 45' ' ' LEU . 3.7 mm? -70.63 -48.73 53.58 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 39' ' ' THR . 11.5 pt20 -63.93 -39.99 95.43 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.878 0.846 . . . . 0.0 112.749 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 95.8 m -56.74 -44.17 81.43 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.34 -176.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -99.49 -15.13 18.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.29 -0.881 . . . . 0.0 111.004 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 mt -135.41 43.37 2.64 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.059 -1.026 . . . . 0.0 108.866 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.489 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -60.2 -52.06 66.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.349 -0.845 . . . . 0.0 110.683 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -68.74 -37.22 79.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.389 -0.819 . . . . 0.0 111.474 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 45' ' ' LEU . 39.8 t80 -82.81 -108.81 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.678 -1.264 . . . . 0.0 111.652 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.83 HD22 HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -9.96 132.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.958 0 CA-C-O 115.293 -2.289 . . . . 0.0 110.087 177.8 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.473 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 57.2 t0 -91.23 111.73 23.33 Favored 'General case' 0 N--CA 1.522 3.125 1 CA-C-N 127.404 4.638 . . . . 0.0 109.641 176.168 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 48' ' ' GLN . 22.5 m -141.18 -43.43 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.697 -1.252 . . . . 0.0 110.114 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.52 ' N ' HG23 ' A' ' 47' ' ' VAL . 6.8 mm100 -90.78 -54.41 3.99 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.02 -1.05 . . . . 0.0 111.925 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.513 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -50.0 -60.03 3.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.816 -1.177 . . . . 0.0 108.201 -178.662 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -97.53 93.95 6.73 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.23 82.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 108.459 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -57.97 -35.33 71.02 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.08 94.84 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.499 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -32.48 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 108.562 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 56.8 t0 -67.19 -40.06 86.46 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.024 -1.048 . . . . 0.0 110.197 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.77 -39.97 79.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.235 -0.916 . . . . 0.0 109.943 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 97.6 mt -69.12 -57.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.672 0.749 . . . . 0.0 111.159 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER -61.86 -38.25 87.53 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.573 0.701 . . . . 0.0 110.416 -178.756 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -60.12 -46.62 89.03 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.41 -27.26 67.7 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 73' ' ' GLU . 13.3 tp -79.41 -39.96 31.14 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.892 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 88.5 m-20 -69.04 58.63 0.1 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -59.98 -40.05 87.8 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.888 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -73.53 -20.07 60.74 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.96 51.95 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -94.34 -4.9 47.74 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.364 -1.08 . . . . 0.0 112.09 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.63 8.16 75.95 Favored Glycine 0 N--CA 1.502 3.067 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -134.17 175.29 9.62 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 t -128.52 129.89 68.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.616 -1.302 . . . . 0.0 108.504 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.3 t0 -92.61 163.94 13.6 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 53.4 t80 -58.65 -33.81 70.5 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.495 -0.753 . . . . 0.0 108.975 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 tm0? -70.4 -31.26 68.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.978 -1.076 . . . . 0.0 109.382 178.365 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.725 ' O ' HD11 ' A' ' 61' ' ' LEU . 42.4 mt-10 -78.74 -49.35 13.21 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.978 0.895 . . . . 0.0 109.777 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.4 84.49 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.361 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.651 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.2 t -59.27 -35.5 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.3 -1.5 . . . . 0.0 109.363 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.3 t -59.95 -34.97 58.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.407 HD12 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -60.04 -58.26 9.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.619 -0.676 . . . . 0.0 112.203 -178.455 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 82' ' ' THR . 12.4 m -59.9 -39.81 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 O-C-N 121.397 -0.815 . . . . 0.0 111.091 -178.194 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -62.52 -39.93 95.14 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.159 -0.963 . . . . 0.0 110.201 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -76.51 -24.71 53.72 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.796 HD22 ' ND2' ' X' ' 8' ' ' ASN . 95.5 mt -86.33 -40.08 15.82 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 119.674 -1.891 . . . . 0.0 110.442 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.512 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 5.0 t -59.16 -40.49 85.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.712 -1.242 . . . . 0.0 109.256 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 18.7 m -60.0 -40.02 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.908 -1.12 . . . . 0.0 109.239 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.546 ' HB3' ' CZ2' ' X' ' 7' ' ' TRP . . . -60.02 -25.53 65.37 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.3 p -76.85 -40.14 48.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.123 -0.986 . . . . 0.0 109.812 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.478 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 53.7 t-20 -60.46 -40.13 90.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.0 109.205 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.89 -40.04 95.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.014 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.486 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 71.0 t80 -84.19 -1.62 55.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.545 -0.722 . . . . 0.0 109.263 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.497 ' CD2' ' O ' ' A' ' 89' ' ' PHE . 64.5 t80 -83.19 -10.07 58.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.461 -0.775 . . . . 0.0 109.852 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -60.6 -7.91 2.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.058 -1.026 . . . . 0.0 109.476 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -60.26 -31.86 70.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.321 -0.862 . . . . 0.0 109.172 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -70.09 -20.45 63.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.408 -0.807 . . . . 0.0 109.551 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.976 -1.012 . . . . 0.0 109.326 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.495 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.815 0 N-CA-C 119.582 2.593 . . . . 0.0 119.582 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -75.36 165.5 25.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.171 -1.194 . . . . 0.0 108.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 39.8 mp0 -59.99 -42.87 95.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 111.296 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.1 -40.02 94.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.417 -1.427 . . . . 0.0 110.088 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 98.3 mt-10 -64.04 -33.24 75.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.926 -1.109 . . . . 0.0 109.536 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.7 m -60.0 -45.13 93.75 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.873 0.844 . . . . 0.0 109.973 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -31.87 69.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -71.69 -49.72 36.96 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.604 -1.31 . . . . 0.0 110.657 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.99 -36.4 75.14 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 121.747 -0.595 . . . . 0.0 111.493 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.5 -54.83 34.11 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 110.097 -178.723 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.7 mp -47.91 -39.5 19.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.431 -1.418 . . . . 0.0 108.609 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -65.99 -40.0 86.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.515 -0.741 . . . . 0.0 112.056 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -80.11 -49.04 12.28 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 119.931 -1.731 . . . . 0.0 112.802 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.39 -37.56 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.557 -1.339 . . . . 0.0 108.792 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.64 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 4.9 m-30 -59.91 -39.82 86.72 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.19 -32.84 74.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.176 -0.952 . . . . 0.0 110.675 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.12 -53.07 61.45 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.964 -1.085 . . . . 0.0 112.153 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -80.15 -43.51 21.51 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.079 -1.013 . . . . 0.0 111.717 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 p -59.94 -24.61 64.51 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.86 5.2 61.64 Favored Glycine 0 N--CA 1.5 2.922 0 O-C-N 120.547 -1.345 . . . . 0.0 112.27 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -122.75 -61.72 1.42 Allowed 'General case' 0 N--CA 1.505 2.302 0 CA-C-N 119.385 1.592 . . . . 0.0 110.2 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -90.06 40.73 1.02 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.83 -1.168 . . . . 0.0 110.461 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.42 -152.74 9.05 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.408 -1.377 . . . . 0.0 110.463 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -85.97 161.86 18.8 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.86 -49.99 69.76 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.225 -0.922 . . . . 0.0 111.688 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' B' ' 26' ' ' TYR . 84.2 t80 -116.67 23.35 12.06 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.618 -1.301 . . . . 0.0 112.708 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -137.07 144.21 43.03 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.286 -1.509 . . . . 0.0 109.237 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tp -91.82 163.17 14.15 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.573 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 91.1 p -132.06 164.49 26.12 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.102 -0.999 . . . . 0.0 110.524 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.422 ' HG3' ' HZ2' ' B' ' 30' ' ' LYS . 23.0 tptp -48.86 -39.97 27.78 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.326 -0.859 . . . . 0.0 111.446 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.426 ' NZ ' ' CB ' ' B' ' 31' ' ' LYS . 1.8 ttpm? -78.54 -29.55 46.48 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 119.742 -1.849 . . . . 0.0 110.105 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.573 ' HB2' ' H ' ' B' ' 29' ' ' SER . 59.1 mt-10 -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.072 -1.017 . . . . 0.0 111.222 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.71 -41.66 99.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.343 -1.473 . . . . 0.0 109.126 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.98 -40.06 95.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.159 -0.963 . . . . 0.0 112.745 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -75.43 -43.7 48.37 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.768 -1.207 . . . . 0.0 112.442 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.23 -48.19 81.08 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.313 -0.867 . . . . 0.0 110.651 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.794 HD12 HD22 ' B' ' 45' ' ' LEU . 3.7 mm? -70.83 -48.7 52.6 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.698 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' B' ' 39' ' ' THR . 11.5 pt20 -63.67 -40.05 95.87 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.919 0.866 . . . . 0.0 112.775 -176.407 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.2 m -56.81 -44.54 82.09 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.328 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -99.13 -15.22 19.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -135.32 43.31 2.66 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.034 -1.041 . . . . 0.0 108.837 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.479 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -60.21 -52.08 66.82 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.627 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 26.3 t -69.04 -36.45 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 0.0 111.445 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.6 t80 -83.84 -94.57 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.734 -1.229 . . . . 0.0 113.141 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.794 HD22 HD12 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -34.22 140.12 0.07 Allowed 'General case' 0 N--CA 1.508 2.453 0 CA-C-O 117.139 -1.41 . . . . 0.0 108.804 -174.567 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.9 t0 -91.26 110.99 22.29 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 124.658 3.39 . . . . 0.0 109.122 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.517 HG23 ' N ' ' B' ' 48' ' ' GLN . 22.8 m -141.29 -42.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.989 -1.069 . . . . 0.0 109.807 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.517 ' N ' HG23 ' B' ' 47' ' ' VAL . 6.9 mm100 -91.09 -54.62 3.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.163 -0.961 . . . . 0.0 111.968 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.492 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -49.93 -60.02 3.32 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.77 -1.206 . . . . 0.0 108.318 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.51 93.88 6.7 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.24 81.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 0.0 108.412 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -57.8 -35.76 71.27 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.94 95.22 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.279 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -32.7 53.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.957 -1.089 . . . . 0.0 108.723 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 56.7 t0 -67.02 -40.0 87.15 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.015 -1.053 . . . . 0.0 110.164 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.66 -39.88 80.46 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.96 0.886 . . . . 0.0 110.017 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.654 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 96.6 mt -69.35 -56.95 9.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 CA-C-O 121.677 0.751 . . . . 0.0 111.23 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.7 OUTLIER -61.84 -38.39 88.01 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.566 0.698 . . . . 0.0 110.431 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -59.92 -46.77 88.31 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -67.34 -24.64 65.74 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.73 HD11 ' O ' ' B' ' 73' ' ' GLU . 13.5 tp -81.62 -39.79 23.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.635 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 58' ' ' MET . 88.3 m-20 -69.11 58.6 0.1 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -60.0 -40.07 87.95 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.851 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -73.6 -20.06 60.71 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.91 52.06 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -94.3 -4.97 47.74 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.319 -1.107 . . . . 0.0 112.005 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.6 8.36 76.27 Favored Glycine 0 N--CA 1.501 2.984 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.28 175.3 9.63 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.29 129.92 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.576 -1.328 . . . . 0.0 108.499 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.3 t0 -92.57 163.92 13.62 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 53.3 t80 -58.65 -33.84 70.54 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.524 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.4 tm0? -70.26 -31.4 68.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.956 -1.09 . . . . 0.0 109.38 178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.73 ' O ' HD11 ' B' ' 61' ' ' LEU . 42.7 mt-10 -78.73 -49.35 13.23 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 122.025 0.916 . . . . 0.0 109.798 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.64 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.53 83.9 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.346 -178.09 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.666 HG12 ' HB1' ' A' ' 79' ' ' ALA . 51.0 t -59.32 -35.15 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.327 -1.483 . . . . 0.0 109.404 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.2 t -59.96 -35.07 58.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 119.057 -1.057 . . . . 0.0 108.171 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -58.32 9.05 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 121.473 0.654 . . . . 0.0 112.144 -178.251 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.436 ' O ' HG22 ' B' ' 82' ' ' THR . 12.5 m -59.99 -39.8 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.495 -0.753 . . . . 0.0 111.055 -178.174 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.651 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -62.43 -39.98 95.09 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.104 -0.998 . . . . 0.0 110.239 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' Y' ' 11' ' ' LEU . . . -76.4 -24.51 54.07 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.464 ' CD1' HD21 ' Y' ' 8' ' ' ASN . 94.2 mt -86.55 -39.98 15.67 Favored 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.58 -1.95 . . . . 0.0 110.509 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 4.9 t -59.13 -40.65 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.779 -1.201 . . . . 0.0 109.201 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 18.7 m -59.97 -39.96 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.979 -1.076 . . . . 0.0 109.244 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.547 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -60.08 -25.64 65.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.4 p -76.75 -40.09 49.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.16 -0.963 . . . . 0.0 109.971 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.484 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 54.3 t-20 -60.44 -40.2 90.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.73 -39.96 95.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.32 -0.862 . . . . 0.0 109.004 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 71.0 t80 -84.2 -1.52 55.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.549 -0.719 . . . . 0.0 109.326 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.491 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 64.8 t80 -83.35 -10.02 58.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.379 -0.826 . . . . 0.0 109.793 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -60.55 -7.99 2.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 109.388 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -60.25 -31.88 70.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 109.182 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -70.14 -20.36 63.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.332 -0.855 . . . . 0.0 109.513 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.413 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' X' X ' 1' ' ' THR . . . . . 0.433 ' O ' ' O ' ' X' ' 2' ' ' ARG . 19.0 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' X' ' 3' ' ' THR . 70.5 ttt-85 63.39 -179.51 0.15 Allowed 'General case' 0 CA--C 1.458 -2.587 0 CA-C-O 123.112 1.434 . . . . 0.0 107.348 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 3' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' X' ' 2' ' ' ARG . 0.3 OUTLIER 64.55 29.66 13.09 Favored 'General case' 0 C--N 1.384 2.07 1 O-C-N 111.929 -6.732 . . . . 0.0 109.824 171.426 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.448 ' CD ' ' N ' ' X' ' 4' ' ' LYS . 0.4 OUTLIER -82.79 156.89 23.44 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.139 -0.975 . . . . 0.0 109.295 179.767 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.442 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 1.3 pt -80.57 122.96 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -121.85 32.03 6.01 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.666 ' O ' HG22 ' X' ' 10' ' ' ILE . 55.0 t90 -59.95 -49.98 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.63 -0.669 . . . . 0.0 111.732 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.768 ' OD1' HD11 ' A' ' 57' ' ' ILE . 34.2 t-20 -54.9 -33.49 62.12 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.304 -1.497 . . . . 0.0 109.035 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 9' ' ' LYS . . . . . 0.407 ' O ' ' OXT' ' X' ' 12' ' ' SER . 82.1 tttt -59.89 -27.08 66.41 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.666 HG22 ' O ' ' X' ' 7' ' ' TRP . 3.0 tt -54.44 -34.45 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.478 ' O ' HD13 ' X' ' 11' ' ' LEU . 0.3 OUTLIER -60.03 -49.94 75.68 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' X' X ' 12' ' ' SER . . . . . 0.407 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 53.6 p . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.9 -1.047 . . . . 0.0 109.702 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -68.16 -20.52 64.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.13 -0.981 . . . . 0.0 109.313 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 71.0 p -72.78 -1.01 14.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.547 -0.721 . . . . 0.0 109.957 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -126.45 145.64 50.41 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.592 0.71 . . . . 0.0 109.927 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.468 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 2.5 pt -118.21 135.83 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 95.7 m-20 -114.62 27.31 9.54 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.063 -1.023 . . . . 0.0 110.351 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.651 ' O ' HG22 ' Y' ' 10' ' ' ILE . 41.7 t90 -60.31 -55.13 37.38 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.015 -1.053 . . . . 0.0 112.868 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.788 ' OD1' HD11 ' B' ' 57' ' ' ILE . 35.1 t-20 -52.13 -35.74 49.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 119.866 -1.771 . . . . 0.0 109.198 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -59.9 -24.72 64.52 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.651 HG22 ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -53.32 -38.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.1 tp -68.9 -40.07 79.36 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.505 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.488 -179.546 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.636 2.614 . . . . 0.0 119.636 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -103.16 34.6 2.84 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.417 -1.049 . . . . 0.0 109.536 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.23 -40.09 94.97 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.338 -0.851 . . . . 0.0 111.775 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -43.32 99.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.142 -1.599 . . . . 0.0 109.606 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.97 -34.18 76.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.026 -1.047 . . . . 0.0 109.615 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.8 -45.72 91.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.37 -0.831 . . . . 0.0 110.104 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.33 66.13 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.764 -0.585 . . . . 0.0 111.837 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 ttt -71.55 -48.83 46.08 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.468 -1.395 . . . . 0.0 110.28 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.07 -33.39 71.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.552 -0.718 . . . . 0.0 111.266 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.22 -55.79 14.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 118.477 -1.289 . . . . 0.0 109.926 -178.721 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -45.56 -38.13 6.14 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.447 -1.408 . . . . 0.0 108.597 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.71 -39.97 83.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.372 -0.83 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.32 -43.01 64.78 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.467 -1.396 . . . . 0.0 112.797 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.511 HG13 ' HD1' ' A' ' 15' ' ' PHE . 11.0 p -71.01 -39.82 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.647 -1.283 . . . . 0.0 109.95 -178.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.643 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.3 m-30 -60.13 -40.52 90.08 Favored 'General case' 0 C--N 1.291 -1.943 0 O-C-N 121.826 -0.546 . . . . 0.0 110.155 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.479 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 2.8 p-80 -73.28 -24.23 60.4 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.152 -1.593 . . . . 0.0 110.433 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.57 -53.7 54.99 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.983 -1.073 . . . . 0.0 110.925 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.491 ' ND1' HD21 ' A' ' 36' ' ' LEU . 32.0 m80 -83.31 -41.27 18.46 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.234 -0.916 . . . . 0.0 111.077 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ASP . 9.7 t -56.83 -28.4 61.53 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.252 -0.905 . . . . 0.0 112.792 -178.303 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.4 9.56 71.75 Favored Glycine 0 N--CA 1.497 2.764 0 O-C-N 120.513 -1.367 . . . . 0.0 111.138 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -124.24 -62.94 1.24 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 118.873 1.337 . . . . 0.0 109.84 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 34.1 mp0 -88.82 18.52 4.71 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.788 -1.195 . . . . 0.0 110.621 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.563 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -152.02 -155.31 6.97 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 19' ' ' SER . 92.9 m-20 -86.78 168.56 13.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -1.187 . . . . 0.0 108.455 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -57.59 -49.33 76.75 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.349 -0.845 . . . . 0.0 112.012 -177.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -118.55 24.75 10.72 Favored 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.514 -1.367 . . . . 0.0 111.499 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -140.01 146.91 39.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.857 -1.152 . . . . 0.0 108.698 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -94.24 164.27 13.11 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.124 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.51 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.9 m -129.46 158.69 38.5 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.401 -0.812 . . . . 0.0 109.801 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -48.01 -40.1 21.69 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -75.12 -23.71 57.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 119.579 -1.95 . . . . 0.0 109.809 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.563 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 81.5 mt-10 -76.3 -42.74 44.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 111.527 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.5 pp -59.86 -47.11 87.08 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 118.408 -1.317 . . . . 0.0 109.2 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.0 tttt -61.12 -40.04 92.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.755 -0.591 . . . . 0.0 111.505 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -66.33 -42.56 88.02 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.919 -1.113 . . . . 0.0 113.966 -177.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.491 HD21 ' ND1' ' A' ' 18' ' ' HIS . 61.2 mt -70.02 -40.04 75.44 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 119.381 -2.074 . . . . 0.0 110.597 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -64.52 -51.83 60.89 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.453 0.644 . . . . 0.0 112.496 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.597 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 5.1 pp0? -66.02 -37.27 85.45 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.854 0.835 . . . . 0.0 111.887 -178.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.597 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 93.0 m -54.85 -45.88 74.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.856 -0.527 . . . . 0.0 111.232 -175.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' B' ' 1' ' ' GLY . 65.0 mt-10 -100.53 -12.53 19.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.135 -0.978 . . . . 0.0 111.617 -177.446 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.93 47.49 2.35 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.988 -1.07 . . . . 0.0 109.421 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 57.8 m -60.16 -48.55 81.27 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 110.529 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.8 p -69.96 -39.74 75.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.356 -0.84 . . . . 0.0 111.786 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -84.61 -106.77 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.838 -1.164 . . . . 0.0 111.952 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -8.88 125.9 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.066 0 CA-C-O 114.79 -2.528 . . . . 0.0 109.322 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 49.1 t0 -90.44 109.23 20.36 Favored 'General case' 0 N--CA 1.521 3.113 1 CA-C-N 128.068 4.94 . . . . 0.0 110.183 178.109 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -143.45 -46.39 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 120.764 -1.21 . . . . 0.0 110.391 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.452 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 29.8 mt-30 -77.5 -47.23 20.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.821 -1.174 . . . . 0.0 111.494 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 1.1 mmtt -57.54 -57.54 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.71 89.56 4.98 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.08 65.38 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.03 -37.9 81.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 118.871 -1.132 . . . . 0.0 109.684 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -35.23 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.555 -1.34 . . . . 0.0 108.331 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.55 -40.02 94.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.97 -1.081 . . . . 0.0 110.489 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.59 -40.08 88.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.044 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.768 HD11 ' OD1' ' X' ' 8' ' ' ASN . 4.6 mm -69.9 -53.78 22.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.682 0.753 . . . . 0.0 110.753 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 tpt -60.87 -39.84 90.7 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.05 0.453 . . . . 0.0 111.271 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -45.58 93.66 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.53 -28.92 66.43 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.728 HD11 ' O ' ' A' ' 73' ' ' GLU . 14.2 tp -74.21 -41.7 60.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.682 -0.636 . . . . 0.0 110.046 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 61.76 0.21 Allowed 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 61' ' ' LEU . 99.9 mt-10 -60.05 -40.0 87.88 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.75 -19.2 61.42 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.98 35.57 49.52 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -96.52 -4.62 41.07 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.397 -1.061 . . . . 0.0 111.846 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.01 9.66 76.43 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -134.63 175.8 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -129.69 131.01 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 120.26 -1.525 . . . . 0.0 110.649 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.67 162.07 13.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.495 ' CD1' HG12 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -55.34 -39.67 70.31 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.139 -0.975 . . . . 0.0 109.145 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -65.61 -28.61 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.74 -1.85 . . . . 0.0 109.546 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.728 ' O ' HD11 ' A' ' 61' ' ' LEU . 90.5 mt-10 -83.16 -49.98 8.92 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.813 0.816 . . . . 0.0 109.862 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 1.3 t80 -60.1 -49.05 79.18 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.633 0.73 . . . . 0.0 111.414 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.613 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -59.99 -36.88 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 110.833 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -57.81 -29.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.151 -0.968 . . . . 0.0 108.415 179.126 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.5 HD12 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -67.93 -59.4 3.31 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 121.702 0.763 . . . . 0.0 112.486 -177.751 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 82' ' ' THR . 26.1 m -61.62 -37.25 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 CA-C-O 121.695 0.759 . . . . 0.0 110.745 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -66.75 -41.19 88.21 Favored 'General case' 0 C--N 1.287 -2.147 0 O-C-N 121.713 -0.617 . . . . 0.0 111.631 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.6 -25.28 53.74 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 113.031 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 mt -78.64 -53.23 7.4 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 119.753 -1.842 . . . . 0.0 109.939 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.589 HG23 ' H ' ' A' ' 83' ' ' VAL . 3.1 t -45.55 -53.22 9.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.278 -0.889 . . . . 0.0 110.697 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.589 ' H ' HG23 ' A' ' 82' ' ' THR . 16.1 m -52.46 -41.17 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.979 -1.076 . . . . 0.0 109.521 178.04 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.52 -25.12 65.87 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 t -71.43 -41.72 69.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.65 -39.97 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.376 -0.828 . . . . 0.0 109.656 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 66.2 m-20 -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.458 -0.776 . . . . 0.0 110.232 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.57 -0.32 57.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.946 -1.096 . . . . 0.0 109.604 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -83.56 -13.91 53.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 108.824 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.449 ' CD2' ' O ' ' A' ' 90' ' ' TRP . 90.5 t90 -94.82 -0.2 54.31 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 110.253 -179.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.01 -41.21 91.62 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.992 -1.067 . . . . 0.0 109.64 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' SER . 95.4 m-20 -100.27 -1.4 36.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.301 -0.874 . . . . 0.0 109.045 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' ASN . 72.3 p . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.164 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 119.613 2.605 . . . . 0.0 119.613 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -103.3 34.77 2.79 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.489 -1.006 . . . . 0.0 109.561 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.14 95.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.835 . . . . 0.0 111.65 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.115 -1.616 . . . . 0.0 109.637 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.86 -34.47 77.43 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -59.6 -45.72 91.06 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.674 0.749 . . . . 0.0 110.188 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.63 -27.8 65.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.789 -0.569 . . . . 0.0 111.871 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ttt -72.14 -48.75 41.34 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.524 -1.36 . . . . 0.0 110.261 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.99 -33.43 72.03 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.626 -0.671 . . . . 0.0 111.237 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -66.17 -55.85 14.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.448 -1.301 . . . . 0.0 109.987 -178.722 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.465 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.1 mp -45.45 -37.97 5.66 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.469 -1.394 . . . . 0.0 108.597 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.92 -39.77 82.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.345 -0.847 . . . . 0.0 110.702 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.47 -43.26 63.96 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.517 -1.364 . . . . 0.0 112.72 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.49 HG13 ' HD1' ' B' ' 15' ' ' PHE . 12.2 p -70.74 -39.97 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.821 -1.174 . . . . 0.0 109.93 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.641 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 5.4 m-30 -60.03 -40.36 89.09 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.722 -0.612 . . . . 0.0 110.225 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.477 ' CD2' ' C ' ' B' ' 16' ' ' HIS . 3.0 p-80 -73.49 -24.02 60.13 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.018 -1.676 . . . . 0.0 110.498 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -53.99 51.79 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.966 -1.084 . . . . 0.0 110.884 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.492 ' ND1' HD21 ' B' ' 36' ' ' LEU . 32.1 m80 -83.21 -41.43 18.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.165 -0.96 . . . . 0.0 111.029 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 24' ' ' ASP . 9.3 t -56.59 -28.62 60.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.276 -0.89 . . . . 0.0 112.856 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.21 9.39 72.31 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.416 -1.428 . . . . 0.0 111.236 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -124.23 -62.8 1.25 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 118.809 1.304 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' B' ' 22' ' ' GLU . 35.3 mp0 -89.07 18.93 4.51 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.746 -1.221 . . . . 0.0 110.606 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.562 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -152.09 -155.49 7.06 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' B' ' 19' ' ' SER . 92.6 m-20 -86.85 168.77 13.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -1.145 . . . . 0.0 108.442 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -57.73 -49.38 76.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.263 -0.898 . . . . 0.0 111.983 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.33 24.12 11.14 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.588 -1.32 . . . . 0.0 111.486 -177.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -139.54 146.63 40.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 108.739 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -93.8 164.35 13.16 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.049 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.52 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.3 m -129.45 158.32 39.54 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.41 -0.806 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -48.24 -39.82 22.56 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.909 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -74.97 -23.88 58.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 119.604 -1.935 . . . . 0.0 109.732 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.562 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 81.5 mt-10 -76.45 -42.66 43.1 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.544 -0.722 . . . . 0.0 111.464 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.519 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.4 pp -59.75 -47.26 86.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.466 -1.396 . . . . 0.0 109.123 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.519 ' N ' HD12 ' B' ' 33' ' ' LEU . 80.4 tttt -61.06 -40.07 92.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.731 -0.606 . . . . 0.0 111.558 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -66.26 -42.5 88.43 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.492 HD21 ' ND1' ' B' ' 18' ' ' HIS . 54.5 mt -70.01 -39.98 75.52 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 119.308 -2.12 . . . . 0.0 110.774 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.52 -51.89 60.58 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.518 0.675 . . . . 0.0 112.492 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.58 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 5.1 pp0? -66.04 -37.12 85.06 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.889 0.852 . . . . 0.0 111.88 -178.204 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.58 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.3 m -55.0 -46.01 75.12 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.737 -0.602 . . . . 0.0 111.295 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -100.43 -12.33 19.46 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.17 -0.956 . . . . 0.0 111.603 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 mt -134.93 47.28 2.37 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.94 -1.1 . . . . 0.0 109.359 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.526 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 67.7 m -60.17 -48.45 81.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 110.438 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -69.96 -39.52 75.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 111.844 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.521 ' O ' ' C ' ' B' ' 45' ' ' LEU . 35.1 t80 -85.19 -92.57 0.09 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.796 -1.19 . . . . 0.0 113.399 -177.525 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.521 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -32.92 133.06 0.13 Allowed 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 116.826 -1.559 . . . . 0.0 108.176 -174.51 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 49.3 t0 -90.22 108.22 19.62 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 125.088 3.585 . . . . 0.0 110.129 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.2 m -143.47 -45.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.13 -0.981 . . . . 0.0 110.088 178.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.439 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 29.8 mt-30 -77.82 -47.38 19.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.665 -1.272 . . . . 0.0 111.441 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.2 mmtt -57.55 -57.67 11.69 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD2' ' OD1' ' Y' ' 6' ' ' ASP . 98.1 m-20 -96.53 89.57 5.05 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.01 65.2 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.01 -38.24 82.07 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.99 89.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.409 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -35.42 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.496 -1.377 . . . . 0.0 108.424 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.5 -39.96 94.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.969 -1.082 . . . . 0.0 110.432 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -66.84 -40.06 87.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.075 -1.016 . . . . 0.0 110.004 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.788 HD11 ' OD1' ' Y' ' 8' ' ' ASN . 4.9 mm -69.77 -53.5 23.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 121.668 0.747 . . . . 0.0 110.819 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.98 -39.85 91.19 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.053 0.454 . . . . 0.0 111.306 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -45.81 92.48 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.0 -26.55 64.13 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.744 HD11 ' O ' ' B' ' 73' ' ' GLU . 14.4 tp -76.05 -41.74 49.77 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.165 0.507 . . . . 0.0 109.76 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.09 61.74 0.2 Allowed 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.8 mt-10 -59.97 -39.98 87.52 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.98 -19.24 61.26 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 35.52 49.49 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.331 -1.908 . . . . 0.0 108.331 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -96.5 -4.9 40.65 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.507 -0.996 . . . . 0.0 111.822 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.03 9.94 77.01 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.78 176.02 9.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.409 HG11 HD21 ' B' ' 61' ' ' LEU . 2.6 t -129.88 131.2 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.357 0 O-C-N 120.249 -1.532 . . . . 0.0 110.649 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -94.73 161.81 14.03 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.451 ' CD1' HG12 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -55.33 -39.57 70.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.044 -1.035 . . . . 0.0 109.135 -179.239 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.86 -28.49 69.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 119.736 -1.853 . . . . 0.0 109.573 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.744 ' O ' HD11 ' B' ' 61' ' ' LEU . 93.0 mt-10 -83.32 -49.9 8.91 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.788 0.804 . . . . 0.0 109.763 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.641 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.3 t80 -59.95 -49.0 79.41 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.5 -0.75 . . . . 0.0 111.447 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.546 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.3 p -59.99 -37.16 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 110.802 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.478 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -57.52 -29.66 34.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.22 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.522 HD12 HD22 ' B' ' 61' ' ' LEU . 0.6 OUTLIER -68.13 -59.5 3.19 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.787 0.803 . . . . 0.0 112.485 -177.651 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.419 ' O ' HG22 ' B' ' 82' ' ' THR . 26.0 m -61.73 -37.18 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.661 0.743 . . . . 0.0 110.721 -178.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.613 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -66.86 -41.39 87.4 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 121.681 -0.637 . . . . 0.0 111.471 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.16 54.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.853 -1.155 . . . . 0.0 113.02 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.93 -53.29 7.21 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.666 -1.896 . . . . 0.0 109.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.585 HG23 ' H ' ' B' ' 83' ' ' VAL . 3.1 t -45.41 -53.24 8.97 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.391 -0.818 . . . . 0.0 110.629 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.585 ' H ' HG23 ' B' ' 82' ' ' THR . 16.5 m -52.48 -41.28 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.03 . . . . 0.0 109.641 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.449 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.3 -25.24 65.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.21 -41.65 69.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.339 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.8 -40.01 91.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 0.0 109.613 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.395 -0.815 . . . . 0.0 110.264 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.5 -0.43 57.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.979 -1.076 . . . . 0.0 109.573 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -83.52 -13.76 53.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 108.933 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' CD2' ' B' ' 90' ' ' TRP . 90.4 t90 -94.8 -0.24 54.32 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.465 -0.772 . . . . 0.0 110.246 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.08 -41.22 92.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.948 -1.095 . . . . 0.0 109.618 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' B' ' 93' ' ' SER . 95.6 m-20 -100.24 -1.25 36.88 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.317 -0.865 . . . . 0.0 109.071 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.445 ' C ' ' O ' ' B' ' 92' ' ' ASN . 75.4 p . . . . . 0 N--CA 1.503 2.2 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.146 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -98.17 130.28 44.93 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.254 -0.904 . . . . 0.0 109.276 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.63 97.23 10.67 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.015 -1.053 . . . . 0.0 108.672 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.575 ' H ' ' CD ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -69.59 -40.01 76.96 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.413 -0.805 . . . . 0.0 109.421 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.602 HG23 ' O ' ' X' ' 5' ' ' ILE . 8.0 tt -162.13 102.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.235 -0.915 . . . . 0.0 109.73 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -128.63 10.93 6.16 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.149 -0.97 . . . . 0.0 109.463 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.671 ' O ' HG22 ' X' ' 10' ' ' ILE . 4.6 p-90 -60.03 -40.71 90.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.092 -1.005 . . . . 0.0 110.413 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.742 ' ND2' HD11 ' A' ' 57' ' ' ILE . 22.2 t-20 -53.05 -39.04 62.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.345 -2.097 . . . . 0.0 108.578 -179.707 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -55.69 -23.05 26.44 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.671 HG22 ' O ' ' X' ' 7' ' ' TRP . 10.6 tt -51.71 -38.09 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 81' ' ' LEU . 58.8 tp -64.31 -40.24 95.53 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.204 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.579 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.174 0.512 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -125.61 148.22 49.04 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 53.8 p -74.0 154.78 39.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.055 -1.028 . . . . 0.0 109.963 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -79.37 0.35 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.412 -0.805 . . . . 0.0 110.161 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.952 HG23 ' H ' ' Y' ' 6' ' ' ASP . 12.2 tt -87.44 -74.36 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.274 -0.891 . . . . 0.0 111.039 -178.3 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.952 ' H ' HG23 ' Y' ' 5' ' ' ILE . 4.3 p-10 42.24 16.86 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.1 -1.0 . . . . 0.0 110.252 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.686 ' O ' HG22 ' Y' ' 10' ' ' ILE . 25.7 t90 -60.34 -50.42 73.68 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.043 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.571 ' CG ' HD11 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -53.69 -31.16 46.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 119.909 -1.745 . . . . 0.0 109.141 -178.937 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -57.41 -24.84 57.93 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.686 HG22 ' O ' ' Y' ' 7' ' ' TRP . 4.2 tt -54.98 -37.5 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.457 HD22 ' CD2' ' B' ' 81' ' ' LEU . 54.5 tp -62.73 -41.89 99.39 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.649 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.824 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.803 0 N-CA-C 119.57 2.588 . . . . 0.0 119.57 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -77.91 158.08 29.53 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -1.162 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -41.29 -56.13 2.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.451 -0.781 . . . . 0.0 111.133 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 4' ' ' LEU . 17.7 mt -69.12 -41.25 77.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.851 -1.156 . . . . 0.0 110.282 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 -35.03 74.78 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.934 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 92.4 m -58.91 -50.04 75.54 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.781 -0.574 . . . . 0.0 109.881 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.27 67.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.675 -0.64 . . . . 0.0 112.349 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -70.23 -45.57 66.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.278 -1.514 . . . . 0.0 109.912 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.93 61.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.474 -0.766 . . . . 0.0 110.619 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -67.48 -57.83 5.83 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.481 -178.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 11' ' ' LEU . 7.5 mp -50.95 -29.67 12.83 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.313 -1.492 . . . . 0.0 108.847 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.62 -39.44 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.277 -0.889 . . . . 0.0 109.804 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -70.42 -56.08 7.5 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.003 -1.061 . . . . 0.0 112.863 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.3 p -61.36 -50.02 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.43 -0.794 . . . . 0.0 111.922 -177.025 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.7 t80 -60.07 -40.16 88.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.155 -0.965 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.92 -40.0 87.36 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.497 -1.377 . . . . 0.0 110.034 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -80.1 -45.17 18.7 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.604 -1.31 . . . . 0.0 111.457 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -60.05 -28.01 67.42 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.41 4.91 77.35 Favored Glycine 0 N--CA 1.497 2.715 0 O-C-N 120.444 -1.41 . . . . 0.0 110.73 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.94 -61.4 1.24 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.429 -1.042 . . . . 0.0 110.312 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 54.7 mp0 -81.11 10.21 5.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 110.653 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -150.58 -146.44 4.33 Favored Glycine 0 N--CA 1.499 2.866 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.822 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 29.0 t0 -88.28 165.39 15.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.613 -0.934 . . . . 0.0 108.69 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 68.5 mmtt -55.45 -50.63 69.35 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.155 -0.966 . . . . 0.0 111.278 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -120.82 25.0 9.95 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 120.772 -1.205 . . . . 0.0 111.847 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -137.96 147.34 44.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.667 -1.27 . . . . 0.0 109.359 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.6 tp -98.04 163.78 12.62 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.262 -177.443 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.546 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 48.0 t -130.46 160.72 33.24 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.44 -43.72 11.63 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.327 -0.858 . . . . 0.0 112.255 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.68 -25.81 60.42 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 119.7 -1.875 . . . . 0.0 110.136 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HB2' ' H ' ' A' ' 29' ' ' SER . 68.2 mt-10 -77.72 -43.5 30.82 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.037 -1.039 . . . . 0.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.4 pp -56.04 -43.51 77.91 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.343 -1.473 . . . . 0.0 107.696 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 33' ' ' LEU . 76.4 tttt -60.08 -39.82 87.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 -178.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.5 -40.02 92.55 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.46 -0.775 . . . . 0.0 111.557 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 14' ' ' VAL . 3.1 mm? -61.54 -51.39 68.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.634 -1.291 . . . . 0.0 111.129 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.86 -41.04 75.38 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' THR . 1.7 pp0? -73.58 -39.93 64.28 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.088 -1.007 . . . . 0.0 112.898 -176.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 93.8 m -59.85 -46.62 88.7 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.974 -0.69 . . . . 0.0 111.201 -175.785 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.11 -16.22 17.13 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.309 -0.869 . . . . 0.0 112.457 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.879 HD13 HD23 ' A' ' 45' ' ' LEU . 88.1 mt -132.98 49.01 2.35 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.772 -1.205 . . . . 0.0 109.497 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.559 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 23.2 t -60.77 -49.8 76.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 110.335 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -64.91 -40.2 94.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.339 -0.851 . . . . 0.0 111.962 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.669 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.4 t80 -90.77 -101.36 0.1 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.761 -1.212 . . . . 0.0 111.989 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.879 HD23 HD13 ' A' ' 41' ' ' LEU . 2.0 mm? -8.5 137.43 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.357 0 CA-C-O 115.763 -2.065 . . . . 0.0 109.253 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.08 116.08 27.1 Favored 'General case' 0 N--CA 1.515 2.824 1 CA-C-N 126.9 4.409 . . . . 0.0 109.772 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ASP . 89.6 t -145.67 -87.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.794 -1.191 . . . . 0.0 110.436 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.401 ' N ' HG12 ' A' ' 47' ' ' VAL . 63.3 mm-40 -60.6 -40.42 91.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.997 -1.064 . . . . 0.0 111.154 -178.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 14.1 mtmm -60.87 -24.36 65.87 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' VAL . 31.7 t70 -145.19 90.22 2.02 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -30.1 64.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.03 -39.58 86.38 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.86 87.52 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.128 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -37.65 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.438 -1.414 . . . . 0.0 109.742 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.69 -40.01 80.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 0.0 110.889 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -64.78 -39.9 94.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.161 -0.962 . . . . 0.0 109.393 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.742 HD11 ' ND2' ' X' ' 8' ' ' ASN . 68.8 mt -65.82 -52.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 CA-C-O 121.916 0.865 . . . . 0.0 110.699 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.466 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.74 -36.17 78.22 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.699 -0.626 . . . . 0.0 110.286 -179.353 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -59.92 -43.28 95.0 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.08 -25.16 67.54 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.0 mt -93.28 -22.97 18.67 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.503 -0.748 . . . . 0.0 110.176 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 60.6 m-20 -76.55 45.23 0.39 Allowed 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 61' ' ' LEU . 96.2 mt-10 -60.03 -41.68 92.77 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.024 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.525 HD21 ' CG ' ' A' ' 66' ' ' ASP . 38.8 p30 -75.54 -21.03 58.29 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 76.93 37.65 32.73 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 108.131 -1.987 . . . . 0.0 108.131 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' CG ' HD21 ' A' ' 64' ' ' ASN . 34.5 p-10 -96.81 -8.74 30.32 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.404 -1.056 . . . . 0.0 111.405 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.72 10.21 86.38 Favored Glycine 0 N--CA 1.501 3.011 0 O-C-N 120.872 -1.143 . . . . 0.0 110.405 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -133.63 175.09 9.74 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.763 -1.434 . . . . 0.0 107.92 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.1 128.21 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.721 -1.237 . . . . 0.0 108.442 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -93.68 164.37 13.18 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -56.66 -32.18 65.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.059 -1.026 . . . . 0.0 109.293 -179.018 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.35 -26.87 62.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.826 -1.171 . . . . 0.0 109.604 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 76' ' ' VAL . 59.2 mt-10 -84.27 -46.98 11.25 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.138 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -67.4 -42.58 83.06 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.313 -0.867 . . . . 0.0 110.954 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.798 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.7 p -62.8 -37.98 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -59.9 -35.41 60.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.934 -1.104 . . . . 0.0 108.853 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.699 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.3 tm? -70.46 -51.4 29.47 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.44 -0.787 . . . . 0.0 112.729 -178.136 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 79' ' ' ALA . 34.5 m -59.76 -35.39 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 O-C-N 120.641 -1.287 . . . . 0.0 109.283 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.849 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -67.18 -40.83 86.64 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-O 121.692 0.758 . . . . 0.0 110.439 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.289 -0.882 . . . . 0.0 112.597 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.494 ' CD2' HD22 ' X' ' 11' ' ' LEU . 1.4 mm? -78.53 -44.73 23.6 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.108 -1.62 . . . . 0.0 109.983 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 83' ' ' VAL . 0.8 OUTLIER -53.51 -49.64 67.12 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.175 -0.953 . . . . 0.0 109.849 178.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 82' ' ' THR . 15.4 m -59.92 -41.78 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.086 -1.009 . . . . 0.0 110.299 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.445 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -61.44 -23.6 65.96 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.41 -0.806 . . . . 0.0 109.077 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.39 -47.51 41.47 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.184 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.59 -43.1 97.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 110.154 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -64.9 -40.19 94.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.41 -0.806 . . . . 0.0 110.73 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 63.9 t80 -88.2 -4.33 58.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.254 -0.904 . . . . 0.0 110.248 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -88.46 -23.76 23.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.099 -1.001 . . . . 0.0 109.539 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -85.68 -12.19 51.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.696 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -69.89 -39.99 75.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.074 -1.017 . . . . 0.0 109.273 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' O ' ' OXT' ' A' ' 93' ' ' SER . 24.9 t-20 -87.79 -7.65 57.01 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.437 -0.79 . . . . 0.0 109.361 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.419 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 24.3 t . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.693 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.9 0 N-CA-C 119.578 2.591 . . . . 0.0 119.578 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 15.2 t -78.31 157.91 29.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.199 -1.177 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 77.7 mm-40 -41.21 -56.14 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.401 -0.812 . . . . 0.0 111.228 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 4' ' ' LEU . 18.1 mt -69.28 -40.93 77.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.277 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.21 -35.73 76.09 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.839 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 10' ' ' THR . 93.8 m -58.4 -50.1 74.88 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.764 -0.585 . . . . 0.0 109.922 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.96 67.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.61 -0.681 . . . . 0.0 112.432 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.8 mtp -70.69 -45.27 65.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.393 -1.442 . . . . 0.0 110.039 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.92 61.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.578 -0.701 . . . . 0.0 110.543 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.2 OUTLIER -67.63 -57.69 5.97 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 121.068 -1.02 . . . . 0.0 108.599 -178.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CD1' ' B' ' 11' ' ' LEU . 7.3 mp -51.02 -29.71 13.27 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.343 -1.473 . . . . 0.0 108.878 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mm -69.7 -38.95 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.27 -0.894 . . . . 0.0 109.748 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.77 -56.14 7.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.046 -1.034 . . . . 0.0 112.865 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.575 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -61.34 -50.09 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.5 -0.75 . . . . 0.0 111.825 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.575 ' N ' HG13 ' B' ' 14' ' ' VAL . 1.7 t80 -60.07 -39.93 87.76 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.009 -1.057 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.17 -39.8 87.7 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.459 -1.4 . . . . 0.0 109.877 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.76 64.27 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -80.34 -45.14 18.3 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.623 -1.298 . . . . 0.0 111.473 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -59.97 -28.26 67.53 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.19 4.57 77.67 Favored Glycine 0 N--CA 1.497 2.73 0 O-C-N 120.436 -1.415 . . . . 0.0 110.822 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -125.71 -61.41 1.25 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.365 -1.079 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 54.6 mp0 -81.05 10.1 5.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.889 -1.132 . . . . 0.0 110.688 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -150.28 -146.27 4.29 Favored Glycine 0 N--CA 1.498 2.784 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 28.8 t0 -88.51 165.39 14.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.711 -0.876 . . . . 0.0 108.745 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 68.1 mmtt -55.61 -50.6 69.71 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.192 -0.942 . . . . 0.0 111.249 -177.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -120.67 24.72 10.14 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.764 -1.21 . . . . 0.0 111.832 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -137.75 146.88 44.19 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.523 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.567 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.4 tp -97.43 164.03 12.62 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.32 -177.546 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.543 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 47.3 t -130.67 160.76 33.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.447 -0.783 . . . . 0.0 109.417 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -45.42 -43.56 11.39 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.23 -0.919 . . . . 0.0 112.208 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -73.83 -25.92 60.33 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 119.637 -1.914 . . . . 0.0 110.114 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.543 ' HB2' ' H ' ' B' ' 29' ' ' SER . 68.2 mt-10 -77.6 -43.64 30.94 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.032 -1.042 . . . . 0.0 111.815 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.723 HD12 ' N ' ' B' ' 34' ' ' LYS . 4.4 pp -55.99 -43.26 77.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.377 -1.452 . . . . 0.0 107.807 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.723 ' N ' HD12 ' B' ' 33' ' ' LEU . 77.4 tttt -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.44 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.43 -40.09 92.87 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.466 -0.771 . . . . 0.0 111.576 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.492 ' CD1' HG22 ' B' ' 14' ' ' VAL . 3.2 mm? -61.57 -51.04 70.2 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.583 -1.323 . . . . 0.0 111.192 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.02 -41.18 74.63 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' B' ' 39' ' ' THR . 1.7 pp0? -73.45 -39.91 64.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 112.979 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.488 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.8 m -60.12 -46.8 88.42 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.07 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.95 -16.31 17.22 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.194 -0.941 . . . . 0.0 112.311 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.847 HD13 HD23 ' B' ' 45' ' ' LEU . 88.1 mt -132.28 48.92 2.37 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.791 -1.193 . . . . 0.0 109.65 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.539 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 22.2 t -61.02 -49.76 76.1 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.323 -0.861 . . . . 0.0 110.281 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -65.05 -40.12 94.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 111.815 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 15.2 t80 -91.83 -87.61 0.21 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.853 -1.155 . . . . 0.0 113.424 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.847 HD23 HD13 ' B' ' 41' ' ' LEU . 1.7 mm? -31.42 144.28 0.01 OUTLIER 'General case' 0 N--CA 1.519 3.016 0 CA-C-O 117.367 -1.301 . . . . 0.0 108.084 -174.267 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' Y' ' 8' ' ' ASN . 6.3 m-20 -89.21 115.09 26.46 Favored 'General case' 0 N--CA 1.505 2.275 0 CA-C-N 124.381 3.264 . . . . 0.0 109.332 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -145.47 -86.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.043 -1.036 . . . . 0.0 110.135 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.84 -39.91 90.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.082 -1.011 . . . . 0.0 111.227 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.7 mtmm -60.98 -24.82 66.4 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -144.94 90.05 2.02 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.73 -30.05 63.13 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.09 -39.82 87.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 177.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.47 87.99 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.9 -1.12 . . . . 0.0 110.139 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -37.78 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.409 -1.432 . . . . 0.0 109.747 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.71 -40.02 80.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 110.863 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.76 -39.94 94.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.096 -1.003 . . . . 0.0 109.347 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.571 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 74.3 mt -65.66 -52.08 54.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-O 121.915 0.864 . . . . 0.0 110.679 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.467 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -60.66 -36.25 78.24 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.895 -0.503 . . . . 0.0 110.284 -179.255 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.01 -43.02 95.52 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.74 -23.18 67.06 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' B' ' 63' ' ' GLU . 25.4 mt -94.96 -23.03 17.58 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.536 -0.727 . . . . 0.0 110.146 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.467 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 60.8 m-20 -76.7 45.06 0.39 Allowed 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' B' ' 61' ' ' LEU . 96.0 mt-10 -60.07 -41.59 92.75 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.885 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.528 HD21 ' CG ' ' B' ' 66' ' ' ASP . 39.0 p30 -75.47 -20.84 58.55 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 76.91 37.5 33.25 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 108.101 -2.0 . . . . 0.0 108.101 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.528 ' CG ' HD21 ' B' ' 64' ' ' ASN . 34.8 p-10 -96.84 -9.01 29.57 Favored 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.44 -1.035 . . . . 0.0 111.491 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.8 10.61 86.12 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.72 175.25 9.62 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.823 -1.398 . . . . 0.0 107.683 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -129.16 128.26 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.787 -1.195 . . . . 0.0 108.327 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -93.89 164.04 13.27 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.445 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -56.14 -32.35 64.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.121 -0.987 . . . . 0.0 109.482 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.18 -26.93 62.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.772 -1.205 . . . . 0.0 109.746 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.426 ' O ' HG12 ' B' ' 76' ' ' VAL . 59.3 mt-10 -84.39 -46.42 11.73 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.801 0.81 . . . . 0.0 110.255 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -67.68 -42.87 81.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.849 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.849 HG22 ' HB1' ' A' ' 79' ' ' ALA . 8.5 p -62.51 -37.92 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.477 -0.764 . . . . 0.0 110.642 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.426 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -59.95 -35.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.962 -1.086 . . . . 0.0 108.879 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.69 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.4 tm? -70.45 -51.51 28.73 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.523 -0.735 . . . . 0.0 112.841 -178.156 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.41 HG23 ' N ' ' B' ' 79' ' ' ALA . 34.4 m -59.75 -34.82 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.531 -1.356 . . . . 0.0 109.261 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.798 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -67.5 -41.04 85.14 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.801 0.81 . . . . 0.0 110.42 178.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -25.9 60.57 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.327 -0.858 . . . . 0.0 112.531 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.586 HD12 ' CZ3' ' Y' ' 7' ' ' TRP . 1.5 mm? -78.62 -44.87 22.88 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.163 -1.586 . . . . 0.0 109.884 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.455 HG23 ' H ' ' B' ' 83' ' ' VAL . 0.8 OUTLIER -53.19 -49.6 66.37 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.063 -1.023 . . . . 0.0 109.737 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.455 ' H ' HG23 ' B' ' 82' ' ' THR . 15.1 m -60.01 -41.42 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.167 -0.958 . . . . 0.0 110.123 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.438 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.93 -23.93 65.64 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.505 -0.747 . . . . 0.0 109.185 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.61 -48.13 34.94 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.51 -0.744 . . . . 0.0 110.098 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -59.99 -43.41 95.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.211 -0.931 . . . . 0.0 110.166 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.02 -39.95 94.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.325 -0.86 . . . . 0.0 110.75 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 65.2 t80 -88.51 -3.72 58.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.088 -1.007 . . . . 0.0 110.249 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -88.89 -24.12 22.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.09 -1.006 . . . . 0.0 109.449 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -85.24 -12.16 53.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 0.0 109.586 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -70.08 -39.86 75.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.118 -0.989 . . . . 0.0 109.158 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.419 ' O ' ' OXT' ' B' ' 93' ' ' SER . 25.1 t-20 -87.93 -7.84 56.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.498 -0.751 . . . . 0.0 109.251 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.419 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 23.9 t . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.683 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' X' ' 4' ' ' LYS . 46.2 ptt85 -156.16 161.71 40.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.261 -0.899 . . . . 0.0 108.856 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m 63.78 -18.88 0.06 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.437 -0.789 . . . . 0.0 110.252 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' X' ' 2' ' ' ARG . 13.3 mptt -100.66 135.02 42.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.279 -0.888 . . . . 0.0 109.625 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.441 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 4.6 pt -110.57 127.17 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-O 121.619 0.723 . . . . 0.0 109.103 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -122.31 21.57 10.3 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.687 ' O ' HG22 ' X' ' 10' ' ' ILE . 43.0 t90 -58.86 -49.8 76.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.974 -178.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.777 ' CG ' ' H ' ' A' ' 46' ' ' ASP . 1.2 m120 -51.4 -34.87 36.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.162 -1.587 . . . . 0.0 108.432 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -55.05 -26.1 35.23 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.687 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.7 tt -53.42 -33.91 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.622 HD13 ' C ' ' X' ' 11' ' ' LEU . 3.1 tm? -64.15 -46.19 85.15 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.819 179.435 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.181 0.515 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -99.48 132.16 45.0 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p -135.13 73.12 1.46 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -140.76 158.18 44.34 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.553 0.692 . . . . 0.0 109.873 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 10.5 pt -87.56 121.15 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 108.945 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 87.2 m-20 -113.06 22.35 14.45 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.39 -0.819 . . . . 0.0 110.282 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.64 ' O ' HG22 ' Y' ' 10' ' ' ILE . 31.3 t90 -57.95 -48.71 79.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.143 -0.973 . . . . 0.0 110.997 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.583 ' N ' ' OD2' ' B' ' 46' ' ' ASP . 0.1 OUTLIER -49.37 -38.69 29.39 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.151 -1.593 . . . . 0.0 108.525 179.703 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.578 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 15.6 ttpp -57.3 -24.35 54.46 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.64 HG22 ' O ' ' Y' ' 7' ' ' TRP . 14.0 tt -54.7 -37.87 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 45.0 tp -66.38 -40.1 89.47 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.614 178.997 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.535 5.261 0 N-CA-C 119.332 2.493 . . . . 0.0 119.332 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.41 ' OG ' ' CD ' ' B' ' 40' ' ' GLU . 46.9 t -80.77 159.95 25.03 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.454 . . . . 0.0 109.069 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 37.2 mp0 -52.19 -46.22 65.47 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.36 -0.838 . . . . 0.0 110.188 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 4' ' ' LEU . 27.7 mt -70.3 -40.13 74.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.312 -0.868 . . . . 0.0 110.277 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.52 -27.93 67.39 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.099 -1.001 . . . . 0.0 108.937 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.3 m -59.35 -45.0 92.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.917 . . . . 0.0 109.726 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.84 70.76 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.1 ttt -69.6 -50.84 40.65 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.184 -1.572 . . . . 0.0 110.328 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.68 -32.69 70.03 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.77 -0.582 . . . . 0.0 112.095 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.68 -53.41 34.0 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.42 -178.342 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.1 mp -50.65 -39.86 51.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.62 -1.3 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.53 -38.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.38 -0.825 . . . . 0.0 111.527 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -79.6 -42.0 25.9 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.997 -1.689 . . . . 0.0 112.486 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.8 p -59.79 -39.4 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 120.5 -1.375 . . . . 0.0 108.483 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' CZ ' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.41 -38.89 85.45 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -62.83 -36.24 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.444 -1.41 . . . . 0.0 110.364 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -57.4 13.21 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.172 -0.955 . . . . 0.0 113.499 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.462 ' ND1' HD21 ' A' ' 36' ' ' LEU . 31.6 m80 -84.72 -40.19 17.62 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.758 -1.214 . . . . 0.0 111.804 -177.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.2 p -56.74 -29.96 63.06 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.279 -0.888 . . . . 0.0 112.672 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.16 16.49 59.21 Favored Glycine 0 N--CA 1.503 3.162 0 O-C-N 120.577 -1.327 . . . . 0.0 111.445 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -125.74 -64.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.246 -1.15 . . . . 0.0 109.492 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.509 ' OE1' ' CE ' ' A' ' 31' ' ' LYS . 98.6 mt-10 -91.31 18.53 6.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.358 -0.839 . . . . 0.0 111.668 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -154.28 -156.08 7.52 Favored Glycine 0 N--CA 1.497 2.743 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.363 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 35.8 t0 -79.84 157.71 26.94 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 67.8 mttm -57.53 -50.15 74.03 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.066 -1.021 . . . . 0.0 112.176 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.441 ' OH ' ' O ' ' B' ' 86' ' ' ASN . 9.0 t80 -109.01 21.46 17.17 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 120.274 -1.516 . . . . 0.0 110.926 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -141.32 148.07 39.15 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 122.485 1.136 . . . . 0.0 110.178 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' CZ ' ' A' ' 15' ' ' PHE . 6.6 tp -92.51 166.27 12.61 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.873 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.57 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.9 t -131.23 163.14 28.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.31 -0.869 . . . . 0.0 110.321 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -50.27 -39.61 45.65 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.981 -1.088 . . . . 0.0 112.015 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.509 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 9.5 ttpp -75.96 -29.89 58.45 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 119.756 -1.84 . . . . 0.0 109.977 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HB2' ' H ' ' A' ' 29' ' ' SER . 83.4 mt-10 -71.47 -40.5 70.24 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.962 -1.086 . . . . 0.0 111.69 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 3.1 pp -61.14 -39.57 90.56 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.382 -1.449 . . . . 0.0 108.003 178.031 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 12.0 tptm -60.75 -39.38 88.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.72 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -73.96 -51.72 15.1 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.462 HD21 ' ND1' ' A' ' 18' ' ' HIS . 40.2 mt -60.91 -41.12 95.5 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 119.861 -1.774 . . . . 0.0 109.747 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD21 ' CE2' ' A' ' 74' ' ' PHE . 70.6 mt -70.11 -37.94 75.48 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 122.231 1.015 . . . . 0.0 110.019 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.484 ' NE2' ' CD ' ' A' ' 48' ' ' GLN . 45.5 tt0 -75.93 -39.75 55.53 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.537 0.684 . . . . 0.0 111.34 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.552 -0.717 . . . . 0.0 112.292 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 62.1 mm-40 -101.1 -24.06 14.36 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.926 -1.109 . . . . 0.0 111.779 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.2 mt -118.2 32.8 5.95 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -51.85 -62.53 1.57 Allowed 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.818 0.818 . . . . 0.0 109.93 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' OG ' ' A' ' 42' ' ' SER . 58.4 m -70.38 -23.51 62.79 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.625 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.4 t80 -82.57 -104.75 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.14 -1.6 . . . . 0.0 110.257 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.625 ' O ' ' O ' ' A' ' 44' ' ' PHE . 4.3 mp -16.34 151.23 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.364 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.461 173.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.777 ' H ' ' CG ' ' X' ' 8' ' ' ASN . 0.2 OUTLIER -89.93 95.34 10.18 Favored 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 123.83 3.014 . . . . 0.0 107.738 174.326 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 48' ' ' GLN . 5.2 t -126.82 -69.74 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 O-C-N 121.051 -1.03 . . . . 0.0 109.298 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' CD ' ' NE2' ' A' ' 38' ' ' GLN . 21.1 mm100 -68.75 -45.05 72.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.928 -1.107 . . . . 0.0 112.082 -177.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.58 -51.21 70.37 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 98.2 m-20 -101.38 94.78 6.1 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.56 78.3 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.31 -39.5 83.27 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.51 -36.4 64.18 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 118.568 -1.253 . . . . 0.0 108.651 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -39.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.218 -1.551 . . . . 0.0 108.118 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.22 -40.29 86.39 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.414 -0.804 . . . . 0.0 112.395 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.26 -40.0 86.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.336 -1.478 . . . . 0.0 109.281 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -68.26 -49.88 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-O 121.516 0.674 . . . . 0.0 110.461 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -59.89 -42.17 93.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.392 -0.817 . . . . 0.0 110.615 -179.373 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.51 94.21 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -59.54 -26.86 65.7 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.501 ' C ' ' H ' ' A' ' 63' ' ' GLU . 23.8 mt -94.24 -18.13 21.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.864 -0.522 . . . . 0.0 110.485 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 58' ' ' MET . 99.8 m-20 -75.58 43.7 0.25 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 61' ' ' LEU . 47.7 mt-10 -61.12 -42.98 99.51 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.092 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -76.47 -14.84 60.02 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.8 31.39 70.17 Favored Glycine 0 N--CA 1.484 1.839 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -92.05 -9.71 41.78 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.843 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.85 14.93 70.96 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.05 176.73 8.45 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' LEU . 2.4 t -134.38 124.15 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 38.0 p-10 -103.43 -22.36 13.66 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.229 -1.544 . . . . 0.0 111.319 -177.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER 159.81 -80.92 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.449 -0.782 . . . . 0.0 110.352 178.519 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.534 ' O ' HG23 ' A' ' 76' ' ' VAL . 59.0 tt0 -38.09 -23.94 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 CA-C-O 121.772 0.796 . . . . 0.0 110.051 -177.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 71' ' ' PHE . 92.6 mt-10 -82.97 -46.84 12.41 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.813 -1.179 . . . . 0.0 109.482 179.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 71' ' ' PHE . 46.8 t80 -66.09 -55.4 16.7 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.539 -0.726 . . . . 0.0 112.441 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.468 HG21 ' CG1' ' B' ' 83' ' ' VAL . 0.8 OUTLIER -59.88 -31.32 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.279 -0.888 . . . . 0.0 110.013 -177.697 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 72' ' ' GLN . 43.5 t -63.37 -37.81 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.358 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.684 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.3 tm? -70.41 -57.86 4.36 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.331 -0.856 . . . . 0.0 112.183 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.543 HG23 ' N ' ' A' ' 79' ' ' ALA . 14.9 m -60.1 -40.15 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.117 -0.989 . . . . 0.0 109.31 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.543 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -59.4 -43.25 93.02 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-O 121.833 0.825 . . . . 0.0 109.583 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.7 59.89 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' X' ' 11' ' ' LEU . 6.1 mp -83.18 -46.52 12.62 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 119.601 -1.937 . . . . 0.0 110.233 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.492 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 6.1 t -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.954 -1.092 . . . . 0.0 110.675 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 84' ' ' ALA . 17.1 m -59.66 -42.06 87.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 O-C-N 120.181 -1.574 . . . . 0.0 108.875 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -63.43 -25.46 68.28 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.2 p -75.05 -37.27 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.213 -0.929 . . . . 0.0 109.042 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.446 ' CG ' ' HH ' ' B' ' 26' ' ' TYR . 28.4 t-20 -60.24 -40.43 90.2 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.79 -39.87 86.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -91.69 0.1 57.52 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.223 -0.923 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 64.6 t80 -83.2 -9.56 59.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.452 -0.78 . . . . 0.0 109.292 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -67.76 -21.03 65.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.545 -0.722 . . . . 0.0 109.65 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.9 -39.43 89.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.206 -0.934 . . . . 0.0 108.777 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -88.62 -8.02 55.38 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.38 -0.825 . . . . 0.0 109.147 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.3 -1.545 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.468 179.483 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.843 0 N-CA-C 119.392 2.517 . . . . 0.0 119.392 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.411 ' OG ' ' CD ' ' A' ' 40' ' ' GLU . 44.9 t -79.81 158.96 26.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.02 -1.283 . . . . 0.0 109.367 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 40.2 mp0 -51.27 -47.04 62.6 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.87 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 4' ' ' LEU . 25.7 mt -70.07 -39.6 75.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.435 -0.79 . . . . 0.0 110.351 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.9 -27.43 66.63 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.878 -1.139 . . . . 0.0 109.007 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 90.3 m -59.4 -45.55 91.19 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.87 0.843 . . . . 0.0 109.426 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.98 68.97 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ttt -70.04 -50.07 44.96 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 110.38 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.36 -34.51 70.54 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.524 -0.735 . . . . 0.0 111.916 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -64.58 -53.81 41.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.413 -1.43 . . . . 0.0 109.5 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.3 mp -50.48 -40.3 50.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.51 -1.369 . . . . 0.0 109.22 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.231 -0.918 . . . . 0.0 111.635 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -78.45 -42.23 30.5 Favored 'General case' 0 N--CA 1.512 2.63 0 O-C-N 120.025 -1.672 . . . . 0.0 112.764 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.455 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -59.55 -40.15 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.459 -1.401 . . . . 0.0 108.102 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.455 ' N ' HG13 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -59.91 -38.8 83.34 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -63.56 -35.9 82.03 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.501 -1.374 . . . . 0.0 110.049 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -57.1 14.55 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.138 -0.977 . . . . 0.0 113.284 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.494 ' ND1' HD21 ' B' ' 36' ' ' LEU . 35.1 m80 -84.57 -40.24 17.79 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.919 -1.113 . . . . 0.0 112.025 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 24' ' ' ASP . 59.6 p -57.26 -29.31 63.73 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.458 -0.776 . . . . 0.0 113.012 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.13 14.15 62.75 Favored Glycine 0 N--CA 1.5 2.921 0 O-C-N 120.68 -1.263 . . . . 0.0 111.157 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -125.41 -63.7 1.12 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.334 -1.097 . . . . 0.0 109.972 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.494 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 99.5 mt-10 -91.63 18.52 7.37 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.322 -0.861 . . . . 0.0 111.615 -177.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.566 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -153.81 -156.77 7.79 Favored Glycine 0 N--CA 1.495 2.619 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.552 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 38.6 t0 -78.88 158.13 28.15 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 67.0 mttm -57.8 -50.56 72.86 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 119.091 -1.044 . . . . 0.0 112.135 -177.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.446 ' HH ' ' CG ' ' A' ' 86' ' ' ASN . 9.2 t80 -109.0 21.43 17.22 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 120.267 -1.521 . . . . 0.0 111.133 -178.084 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -140.64 147.71 39.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.878 -1.139 . . . . 0.0 110.084 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.416 ' CB ' ' O ' ' B' ' 69' ' ' VAL . 5.9 tp -91.31 166.98 12.63 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.937 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.542 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 28.7 t -132.04 163.53 28.23 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -50.76 -38.51 48.26 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 118.87 -1.132 . . . . 0.0 112.325 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.494 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 9.7 ttpp -76.98 -30.31 55.91 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 119.754 -1.841 . . . . 0.0 109.546 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.566 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 83.2 mt-10 -70.64 -41.59 71.99 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 2.9 pp -59.79 -39.98 86.76 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.151 -1.593 . . . . 0.0 108.221 177.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.427 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 11.3 tptm -60.69 -38.9 86.49 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.03 -51.58 15.42 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.494 HD21 ' ND1' ' B' ' 18' ' ' HIS . 46.3 mt -61.57 -41.47 97.44 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 119.946 -1.721 . . . . 0.0 109.687 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.431 HD21 ' CE2' ' B' ' 74' ' ' PHE . 80.0 mt -69.66 -36.65 76.23 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 122.013 0.911 . . . . 0.0 109.763 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . 41.6 tt0 -76.7 -39.89 50.55 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.806 0.812 . . . . 0.0 111.417 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.72 -0.613 . . . . 0.0 112.159 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 55.2 mm-40 -101.28 -24.98 14.14 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.765 -1.209 . . . . 0.0 111.417 -177.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.0 mt -115.81 30.22 7.48 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -49.92 -62.55 1.5 Allowed 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.62 0.724 . . . . 0.0 110.137 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.459 ' N ' ' OG ' ' B' ' 42' ' ' SER . 63.0 m -71.12 -23.15 62.03 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.826 -0.546 . . . . 0.0 112.372 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 4.0 t80 -83.1 -91.76 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.273 -1.517 . . . . 0.0 112.623 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.438 ' N ' ' CG ' ' B' ' 44' ' ' PHE . 2.4 mp -39.07 158.98 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -177.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER -89.5 94.94 10.06 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 122.329 2.331 . . . . 0.0 107.826 177.283 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 48' ' ' GLN . 6.8 t -127.38 -68.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.706 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.495 ' CD ' ' NE2' ' B' ' 38' ' ' GLN . 19.9 mm100 -68.99 -43.53 74.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.058 -1.026 . . . . 0.0 112.052 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.493 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -62.02 -51.68 67.03 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.246 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 95.3 m-20 -101.28 94.82 6.14 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.82 79.58 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.87 -39.85 86.66 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.05 61.74 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.516 -1.274 . . . . 0.0 108.621 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -39.78 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.181 -1.574 . . . . 0.0 107.522 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -66.06 -41.43 90.79 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -66.6 -39.76 88.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.174 -1.579 . . . . 0.0 109.257 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 44.0 mt -68.44 -49.13 68.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-O 121.475 0.655 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.438 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -60.81 -40.44 92.72 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.709 -0.62 . . . . 0.0 110.802 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -45.43 92.67 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.89 -25.31 64.99 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' B' ' 63' ' ' GLU . 19.2 mt -94.96 -19.41 20.25 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.85 -0.531 . . . . 0.0 110.278 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.438 ' OD1' ' SD ' ' B' ' 58' ' ' MET . 98.7 m-20 -74.78 43.23 0.19 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.382 -1.449 . . . . 0.0 107.742 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' B' ' 61' ' ' LEU . 47.1 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.397 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -75.74 -15.51 60.27 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.98 30.49 67.8 Favored Glycine 0 N--CA 1.482 1.702 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 30.8 p-10 -91.5 -9.45 44.37 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.285 -1.126 . . . . 0.0 111.004 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.43 16.4 71.48 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -140.11 175.44 9.59 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.416 ' O ' ' CB ' ' B' ' 28' ' ' LEU . 2.5 t -132.54 124.56 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 39.2 p-10 -103.33 -23.31 13.59 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.311 -1.493 . . . . 0.0 111.109 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.2 OUTLIER 160.61 -80.48 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.41 -0.806 . . . . 0.0 110.661 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.597 ' O ' HG23 ' B' ' 76' ' ' VAL . 60.6 tt0 -38.85 -23.73 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 121.584 0.707 . . . . 0.0 109.973 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' B' ' 71' ' ' PHE . 91.2 mt-10 -82.66 -45.07 14.96 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.864 -1.148 . . . . 0.0 109.685 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 71' ' ' PHE . 48.4 t80 -67.85 -54.8 16.11 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.729 -0.607 . . . . 0.0 112.573 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.439 HG21 ' CG1' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -60.13 -31.1 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 109.703 -177.732 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.597 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -62.85 -39.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 120.9 -1.125 . . . . 0.0 109.512 177.667 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.7 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.3 tm? -69.69 -57.75 4.76 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.923 -1.111 . . . . 0.0 112.284 -177.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.516 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.7 m -60.36 -40.2 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.727 -1.233 . . . . 0.0 109.268 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.516 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -59.74 -40.04 86.73 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.701 0.763 . . . . 0.0 110.146 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.54 -23.44 53.63 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.372 -0.83 . . . . 0.0 113.006 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.45 -46.11 12.88 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 119.451 -2.031 . . . . 0.0 110.063 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.491 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 6.0 t -55.26 -42.02 72.97 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.243 -0.911 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 75' ' ' VAL . 18.5 m -59.53 -40.65 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.502 -1.374 . . . . 0.0 108.755 177.007 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.462 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -65.13 -25.43 67.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.0 OUTLIER -75.36 -36.97 60.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.441 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 28.4 t-20 -60.06 -40.21 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 109.902 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -90.93 0.25 57.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.141 -0.974 . . . . 0.0 109.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 62.6 t80 -83.66 -9.92 58.55 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.28 -0.887 . . . . 0.0 109.207 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -67.24 -20.95 65.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.102 -0.999 . . . . 0.0 109.678 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.53 -40.12 90.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.931 -1.106 . . . . 0.0 108.951 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -88.38 -6.99 57.37 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.553 -0.717 . . . . 0.0 109.147 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.516 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' X' X ' 1' ' ' THR . . . . . 0.445 ' O ' ' OD2' ' X' ' 6' ' ' ASP . 50.6 p . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -67.25 -19.39 65.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.212 -0.93 . . . . 0.0 109.228 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 71.5 p -80.02 169.96 17.12 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.392 -0.818 . . . . 0.0 110.075 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.548 ' O ' ' O ' ' X' ' 5' ' ' ILE . 13.7 mptt 55.72 33.76 22.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.674 -0.641 . . . . 0.0 109.369 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 5' ' ' ILE . . . . . 0.548 ' O ' ' O ' ' X' ' 4' ' ' LYS . 0.1 OUTLIER 44.42 170.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 CA-C-O 121.982 0.896 . . . . 0.0 111.075 179.431 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' X' X ' 6' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' X' ' 1' ' ' THR . 53.8 m-20 -159.66 13.53 0.14 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.687 ' O ' HG22 ' X' ' 10' ' ' ILE . 38.6 t90 -59.99 -50.1 75.08 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.506 ' CG ' HD11 ' A' ' 57' ' ' ILE . 7.0 t-20 -53.02 -33.75 53.16 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 119.732 -1.855 . . . . 0.0 108.682 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -63.27 -25.69 68.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.687 HG22 ' O ' ' X' ' 7' ' ' TRP . 8.9 tt -50.36 -36.44 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -69.96 -39.95 75.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.498 179.77 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.42 ' O ' ' OG1' ' Y' ' 3' ' ' THR . 14.9 ptm180 -100.01 8.61 43.88 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.361 -0.837 . . . . 0.0 110.098 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' Y' ' 3' ' ' THR . 3.2 p 60.46 87.73 0.09 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -0.951 . . . . 0.0 109.296 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . 0.523 ' N ' ' CD ' ' Y' ' 4' ' ' LYS . 10.2 mptt -62.44 -53.25 57.62 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.422 -0.799 . . . . 0.0 110.47 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 tt -172.73 134.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -146.11 9.06 1.1 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.621 ' O ' HG22 ' Y' ' 10' ' ' ILE . 48.4 t90 -59.99 -49.61 76.98 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.312 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.59 ' ND2' HD11 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -51.33 -38.54 53.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 119.717 -1.865 . . . . 0.0 108.463 -179.156 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.408 ' O ' ' OXT' ' Y' ' 12' ' ' SER . 0.6 OUTLIER -60.25 -23.4 64.06 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.541 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.621 HG22 ' O ' ' Y' ' 7' ' ' TRP . 13.2 tt -50.46 -39.75 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.8 tp -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . 0.408 ' OXT' ' O ' ' Y' ' 9' ' ' LYS . 1.4 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.342 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.824 0 N-CA-C 119.716 2.646 . . . . 0.0 119.716 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -86.1 35.32 0.64 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.32 -1.106 . . . . 0.0 108.884 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.434 HD23 ' O ' ' A' ' 4' ' ' LEU . 6.5 tt -60.16 -40.38 89.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.693 -1.255 . . . . 0.0 108.887 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -36.54 77.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.981 . . . . 0.0 109.062 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.495 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.3 m -53.56 -46.1 70.13 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.47 -0.769 . . . . 0.0 110.437 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.53 72.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.8 -0.563 . . . . 0.0 112.509 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.3 ttt -69.02 -50.0 52.64 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.787 -1.196 . . . . 0.0 110.757 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.49 -29.45 68.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.697 -0.627 . . . . 0.0 110.306 -176.394 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.2 -56.96 13.5 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.392 -179.673 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -50.09 -39.97 44.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.059 -1.651 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.92 -25.61 34.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.112 -0.992 . . . . 0.0 109.778 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.74 -53.4 7.57 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.181 -0.949 . . . . 0.0 112.152 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 15' ' ' PHE . 22.9 m -65.09 -48.49 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 110.926 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.645 ' N ' HG23 ' A' ' 14' ' ' VAL . 4.6 t80 -60.0 -41.72 92.69 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.149 -0.969 . . . . 0.0 109.559 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.0 -40.04 92.02 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.313 -1.492 . . . . 0.0 109.386 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -55.88 28.43 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 92.2 m-70 -82.6 -41.29 19.7 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.904 -1.123 . . . . 0.0 111.879 -177.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 20.3 m -52.66 -28.42 21.52 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.333 -0.855 . . . . 0.0 112.161 -178.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.92 11.43 49.09 Favored Glycine 0 N--CA 1.504 3.196 0 O-C-N 120.739 -1.226 . . . . 0.0 111.244 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' A' ' 23' ' ' GLY . 95.0 mttt -127.01 -74.38 0.59 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.031 -1.276 . . . . 0.0 109.269 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' OE1' ' OD2' ' A' ' 35' ' ' ASP . 98.9 mt-10 -64.91 15.16 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 110.402 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -171.15 176.45 44.48 Favored Glycine 0 N--CA 1.484 1.842 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 23' ' ' GLY . 95.5 m-20 -36.84 163.14 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.037 0.922 . . . . 0.0 110.941 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.12 -50.11 65.14 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.563 -0.711 . . . . 0.0 111.733 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -131.6 39.3 3.51 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.828 -1.17 . . . . 0.0 111.861 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -137.35 143.08 41.84 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.753 -1.217 . . . . 0.0 109.57 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.0 tp -96.62 102.37 14.15 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 122.298 1.046 . . . . 0.0 108.513 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLU . 78.6 p -72.48 157.02 38.41 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 120.744 -1.223 . . . . 0.0 108.531 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -46.97 -32.04 3.6 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.141 178.078 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -75.12 -34.95 61.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 108.447 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 14.0 mm-40 -61.58 -39.98 93.09 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.719 HD11 HG21 ' A' ' 69' ' ' VAL . 38.5 mt -60.02 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 122.078 0.942 . . . . 0.0 109.801 178.415 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -51.84 -45.55 64.04 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.348 -176.135 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.428 ' O ' ' OG1' ' A' ' 39' ' ' THR . 76.8 m-20 -72.61 -26.92 61.86 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.366 -0.834 . . . . 0.0 111.287 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -69.03 -56.46 7.68 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.177 -1.577 . . . . 0.0 109.914 -178.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.661 ' H ' HD22 ' A' ' 37' ' ' LEU . 1.2 mm? -69.33 -40.08 77.79 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.811 0.815 . . . . 0.0 110.705 -178.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 42.9 tt0 -69.71 -40.36 76.34 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.6 0.714 . . . . 0.0 112.917 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.9 m -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 112.271 -175.268 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 44.3 mp0 -100.21 -17.62 17.27 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.95 -1.094 . . . . 0.0 111.741 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.527 HD13 HD13 ' A' ' 45' ' ' LEU . 16.0 mt -131.54 50.05 2.27 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 120.942 -1.099 . . . . 0.0 110.208 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.48 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 41.1 t -63.36 -48.77 76.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.05 -1.031 . . . . 0.0 110.296 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 m -68.35 -40.44 81.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.54 -0.725 . . . . 0.0 112.457 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' O ' ' C ' ' A' ' 45' ' ' LEU . 22.2 t80 -86.52 -105.68 0.06 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.477 -1.389 . . . . 0.0 111.741 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 44' ' ' PHE . 1.9 mp -9.08 130.44 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.131 0 CA-C-O 115.201 -2.333 . . . . 0.0 109.288 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' H ' ' HB2' ' X' ' 8' ' ' ASN . 15.0 t0 -90.17 110.47 21.5 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-N 127.491 4.678 . . . . 0.0 109.551 177.696 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 48' ' ' GLN . 6.5 m -144.82 -40.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.643 -1.285 . . . . 0.0 110.814 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.488 ' N ' HG23 ' A' ' 47' ' ' VAL . 6.4 tm0? -93.47 -34.22 13.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.091 -1.006 . . . . 0.0 111.889 -177.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 23.3 mtmm -69.25 -26.8 64.96 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.967 -1.083 . . . . 0.0 109.561 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 p-10 -140.22 87.91 2.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.994 -1.066 . . . . 0.0 108.231 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.56 -25.21 3.86 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.01 -40.02 87.81 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.91 -39.83 86.75 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.094 -1.043 . . . . 0.0 108.713 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.98 61.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.114 -0.991 . . . . 0.0 109.312 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.97 -40.03 75.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.216 . . . . 0.0 110.983 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.82 -40.06 76.11 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.506 HD11 ' CG ' ' X' ' 8' ' ' ASN . 65.3 mt -66.94 -56.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.718 0.771 . . . . 0.0 110.337 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.407 ' SD ' ' CG ' ' A' ' 30' ' ' LYS . 4.2 ttt -59.99 -33.99 72.71 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.709 -0.619 . . . . 0.0 109.889 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -60.05 -41.18 91.76 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.99 -26.41 66.79 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 73' ' ' GLU . 25.6 mt -86.61 -30.75 21.57 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.464 -0.773 . . . . 0.0 109.418 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.42 47.61 0.23 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' LEU . 94.6 mt-10 -59.94 -40.75 90.03 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.643 -0.823 . . . . 0.0 108.979 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -74.13 -24.7 59.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.09 17.21 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 38.0 p-10 -96.14 -10.54 27.98 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.491 -1.005 . . . . 0.0 112.071 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.64 -2.06 87.23 Favored Glycine 0 N--CA 1.505 3.271 0 O-C-N 120.872 -1.143 . . . . 0.0 111.206 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 24.0 mp0 -141.98 173.6 11.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.363 -1.669 . . . . 0.0 108.411 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.719 HG21 HD11 ' A' ' 33' ' ' LEU . 2.4 t -126.14 129.96 72.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.583 ' O ' ' HB2' ' A' ' 71' ' ' PHE . 32.7 p-10 -105.88 -13.49 15.49 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.859 -1.151 . . . . 0.0 112.772 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER 152.88 -86.99 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.948 0 CA-C-N 118.826 0.739 . . . . 0.0 110.923 176.724 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 76' ' ' VAL . 57.4 tt0 -37.1 -24.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 110.525 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 71' ' ' PHE . 96.9 mt-10 -82.5 -49.09 10.29 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 71' ' ' PHE . 72.8 t80 -63.15 -49.96 72.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.739 -0.601 . . . . 0.0 112.047 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.669 ' HB ' ' HB1' ' B' ' 79' ' ' ALA . 0.0 OUTLIER -57.75 -35.84 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.02 -1.05 . . . . 0.0 109.113 -179.189 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 72' ' ' GLN . 47.4 t -59.98 -39.98 81.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.706 ' C ' HD13 ' A' ' 77' ' ' LEU . 3.2 tm? -65.97 -52.46 49.41 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.173 -0.955 . . . . 0.0 111.956 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.0 -39.2 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.898 -1.126 . . . . 0.0 109.011 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB1' ' HB ' ' B' ' 75' ' ' VAL . . . -60.05 -47.88 84.02 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 122.348 1.07 . . . . 0.0 110.971 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.88 -24.73 60.89 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.01 -49.09 11.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.574 -1.954 . . . . 0.0 109.924 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 83' ' ' VAL . 2.8 t -49.29 -47.19 47.11 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.02 . . . . 0.0 110.443 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.504 HG11 HG21 ' B' ' 75' ' ' VAL . 22.4 m -60.06 -41.06 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.992 -1.067 . . . . 0.0 109.987 178.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -62.8 -23.81 67.43 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.484 -0.76 . . . . 0.0 109.47 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.33 -48.4 34.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.434 -0.791 . . . . 0.0 110.299 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -61.59 -41.76 97.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 109.743 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 49.3 t-20 -62.13 -40.07 94.71 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.442 ' CD2' ' O ' ' A' ' 88' ' ' PHE . 65.2 t80 -82.48 -10.75 58.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.98 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.55 -34.09 35.7 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.258 -0.901 . . . . 0.0 108.599 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -77.19 -21.45 53.91 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.606 -0.684 . . . . 0.0 110.577 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -40.01 88.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.873 -1.142 . . . . 0.0 109.013 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 93' ' ' SER . 14.8 t-20 -83.83 -1.68 54.85 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 92' ' ' ASN . 32.5 t . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.378 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.947 0 N-CA-C 119.538 2.575 . . . . 0.0 119.538 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -85.84 35.61 0.63 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -1.088 . . . . 0.0 108.988 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.12 -39.92 87.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 110.142 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.437 HD23 ' O ' ' B' ' 4' ' ' LEU . 6.6 tt -60.17 -40.3 89.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.765 -1.21 . . . . 0.0 108.947 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -36.62 77.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.054 -1.029 . . . . 0.0 108.997 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.498 ' O ' ' OG1' ' B' ' 10' ' ' THR . 22.3 m -53.4 -46.45 69.7 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.526 -0.734 . . . . 0.0 110.459 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -31.88 73.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.0 ttt -69.18 -50.05 51.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.85 -1.156 . . . . 0.0 110.747 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.4 -29.72 68.47 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.704 -0.622 . . . . 0.0 110.304 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -61.85 -57.23 12.62 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.371 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -49.85 -40.08 41.16 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.097 -1.627 . . . . 0.0 109.435 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.96 -25.48 34.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.112 -0.993 . . . . 0.0 109.84 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.22 -0.925 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.626 HG23 ' N ' ' B' ' 15' ' ' PHE . 21.6 m -64.92 -48.42 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.644 -0.66 . . . . 0.0 110.933 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.626 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.9 t80 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.186 -0.946 . . . . 0.0 109.584 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.13 -39.97 92.05 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.357 -1.464 . . . . 0.0 109.38 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.03 -56.03 26.69 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 91.9 m-70 -82.42 -41.65 19.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.893 -1.13 . . . . 0.0 111.813 -177.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.8 m -52.54 -28.24 19.95 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.399 -0.813 . . . . 0.0 112.151 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.07 11.27 48.48 Favored Glycine 0 N--CA 1.503 3.101 0 O-C-N 120.769 -1.207 . . . . 0.0 111.381 -178.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' B' ' 23' ' ' GLY . 95.0 mttt -126.87 -74.28 0.6 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.012 -1.287 . . . . 0.0 109.271 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.94 15.14 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.364 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -171.21 176.76 44.43 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 119.121 -1.514 . . . . 0.0 110.818 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 23' ' ' GLY . 95.1 m-20 -37.0 163.13 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.026 0.917 . . . . 0.0 110.981 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -53.09 -50.11 65.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.518 -0.739 . . . . 0.0 111.74 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.47 38.68 3.58 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.822 -1.173 . . . . 0.0 111.871 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -137.02 142.9 42.49 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.666 -1.271 . . . . 0.0 109.61 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.416 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.0 tp -96.41 102.37 14.15 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.353 1.073 . . . . 0.0 108.589 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 32' ' ' GLU . 78.7 p -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.289 -2.031 0 O-C-N 120.702 -1.249 . . . . 0.0 108.558 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.539 ' HA ' HD12 ' B' ' 33' ' ' LEU . 0.1 OUTLIER -46.92 -32.0 3.52 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.233 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -75.17 -34.9 61.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.431 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 13.8 mm-40 -61.62 -39.95 93.12 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.704 HD11 HG21 ' B' ' 69' ' ' VAL . 37.4 mt -60.09 -49.03 79.27 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.955 0.883 . . . . 0.0 109.685 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' B' ' 38' ' ' GLN . 0.2 OUTLIER -51.9 -45.69 64.3 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.286 -176.074 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -72.44 -26.88 62.0 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.308 -0.87 . . . . 0.0 111.364 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' B' ' 36' ' ' LEU . 0.9 OUTLIER -69.18 -56.4 7.75 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.186 -1.571 . . . . 0.0 109.935 -178.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.646 HD22 ' H ' ' B' ' 37' ' ' LEU . 1.3 mm? -69.55 -39.97 77.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.795 0.807 . . . . 0.0 110.632 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 43.6 tt0 -69.84 -40.23 75.95 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 0.0 112.311 -175.366 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 44.6 mp0 -100.06 -17.76 17.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.03 -1.044 . . . . 0.0 111.657 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.518 HD13 HD13 ' B' ' 45' ' ' LEU . 16.9 mt -131.39 49.92 2.28 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.96 -1.088 . . . . 0.0 110.172 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.449 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 42.4 t -63.13 -49.08 75.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.111 -0.993 . . . . 0.0 110.296 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.4 m -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.56 -0.712 . . . . 0.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.601 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.5 t80 -87.61 -91.95 0.11 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.641 -1.287 . . . . 0.0 113.171 -177.588 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.4 mp -32.33 137.53 0.06 Allowed 'General case' 0 N--CA 1.515 2.788 0 CA-C-O 116.899 -1.524 . . . . 0.0 108.19 -174.6 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.481 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 17.0 t0 -90.23 110.02 21.08 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-N 124.999 3.545 . . . . 0.0 109.054 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.49 HG23 ' N ' ' B' ' 48' ' ' GLN . 10.0 m -145.04 -40.85 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.972 -1.08 . . . . 0.0 110.497 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.49 ' N ' HG23 ' B' ' 47' ' ' VAL . 6.6 tm0? -93.37 -34.48 13.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 111.938 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 23.4 mtmm -68.92 -27.09 65.45 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.954 -1.091 . . . . 0.0 109.558 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 15.6 p-10 -140.4 87.82 2.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.041 -1.037 . . . . 0.0 108.268 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -24.99 3.52 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.05 -40.41 89.33 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.352 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -33.91 59.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.135 -0.978 . . . . 0.0 109.499 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -70.05 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.738 -1.226 . . . . 0.0 110.891 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -69.95 -40.1 75.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.187 -0.946 . . . . 0.0 109.956 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.59 HD11 ' ND2' ' Y' ' 8' ' ' ASN . 57.2 mt -66.84 -56.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.653 0.74 . . . . 0.0 110.224 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.406 ' SD ' ' CG ' ' B' ' 30' ' ' LYS . 4.3 ttt -59.96 -34.01 72.7 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.663 -0.648 . . . . 0.0 109.916 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -60.02 -41.27 91.82 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -24.09 65.24 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.542 HD22 ' O ' ' B' ' 73' ' ' GLU . 23.9 mt -88.45 -30.76 19.19 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.505 -0.747 . . . . 0.0 109.117 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -73.54 47.55 0.24 Allowed 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' B' ' 61' ' ' LEU . 94.5 mt-10 -59.97 -40.68 89.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.611 -0.835 . . . . 0.0 108.884 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.19 -24.71 59.4 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.96 39.07 17.57 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 107.866 -2.094 . . . . 0.0 107.866 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 38.4 p-10 -96.02 -10.77 27.69 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.472 -1.017 . . . . 0.0 112.083 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.6 -1.74 87.21 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 120.87 -1.144 . . . . 0.0 111.231 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 24.1 mp0 -142.13 173.63 11.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.476 -1.603 . . . . 0.0 108.299 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.704 HG21 HD11 ' B' ' 33' ' ' LEU . 2.5 t -125.96 130.01 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 33.9 p-10 -105.69 -13.89 15.43 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.823 -1.173 . . . . 0.0 112.749 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.1 OUTLIER 153.15 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.946 0 CA-C-N 118.83 0.741 . . . . 0.0 110.915 176.819 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.574 ' O ' HG23 ' B' ' 76' ' ' VAL . 57.0 tt0 -37.23 -24.49 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' B' ' 71' ' ' PHE . 97.0 mt-10 -82.71 -49.17 10.05 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' B' ' 71' ' ' PHE . 72.5 t80 -62.85 -50.02 72.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.653 -0.654 . . . . 0.0 112.059 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.675 ' HB ' ' HB1' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -57.84 -35.75 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.142 -179.054 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 72' ' ' GLN . 44.9 t -60.02 -39.91 81.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.441 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.695 ' C ' HD13 ' B' ' 77' ' ' LEU . 3.3 tm? -66.08 -52.37 49.51 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.152 -0.967 . . . . 0.0 112.015 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.468 ' H ' HG23 ' B' ' 78' ' ' VAL . 1.4 t -60.06 -39.09 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.834 -1.166 . . . . 0.0 108.904 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.669 ' HB1' ' HB ' ' A' ' 75' ' ' VAL . . . -60.04 -47.74 84.59 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.398 1.094 . . . . 0.0 111.042 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.11 -24.66 60.66 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.17 -48.77 11.66 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 119.592 -1.942 . . . . 0.0 109.993 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.452 HG23 ' N ' ' B' ' 83' ' ' VAL . 2.8 t -49.63 -47.2 49.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 110.39 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.494 HG11 HG21 ' A' ' 75' ' ' VAL . 24.9 m -60.04 -41.17 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.059 -1.026 . . . . 0.0 110.129 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.458 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -62.54 -23.89 67.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.53 -0.732 . . . . 0.0 109.41 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.44 -48.14 36.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.391 -0.818 . . . . 0.0 110.331 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 44.1 t30 -61.65 -41.77 97.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.102 -0.999 . . . . 0.0 109.819 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.411 ' O ' ' OD1' ' B' ' 87' ' ' ASN . 48.9 t-20 -62.12 -39.95 94.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 110.361 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.436 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 65.1 t80 -82.49 -11.17 58.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.862 . . . . 0.0 109.979 -178.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.73 -34.64 39.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.257 -0.902 . . . . 0.0 108.686 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -77.03 -21.51 54.45 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.624 -0.673 . . . . 0.0 110.572 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.775 -1.203 . . . . 0.0 109.107 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -83.77 -1.85 55.09 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.375 -0.828 . . . . 0.0 108.983 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 31.9 t . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.407 -179.835 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' X' X ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 2' ' ' ARG . . . . . 0.495 ' N ' ' OG1' ' X' ' 1' ' ' THR . 7.8 tpp85 -100.03 130.01 46.14 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.154 -0.966 . . . . 0.0 109.421 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 31.7 m -84.66 121.6 27.89 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.135 -0.978 . . . . 0.0 109.199 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 4' ' ' LYS . . . . . 0.441 ' CD ' ' N ' ' X' ' 4' ' ' LYS . 0.7 OUTLIER -64.52 -51.96 60.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.216 -0.927 . . . . 0.0 109.639 -179.641 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 pt -143.66 131.52 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.474 -0.766 . . . . 0.0 108.977 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -124.66 9.31 8.31 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.88 0.848 . . . . 0.0 109.436 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 7' ' ' TRP . . . . . 0.723 ' O ' HG22 ' X' ' 10' ' ' ILE . 4.8 p-90 -60.03 -48.56 81.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.207 -0.933 . . . . 0.0 110.291 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 8' ' ' ASN . . . . . 0.62 ' N ' ' CG ' ' X' ' 7' ' ' TRP . 3.7 p30 -46.31 -39.76 10.66 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.423 -1.423 . . . . 0.0 109.967 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -59.18 -24.06 62.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' X' X ' 10' ' ' ILE . . . . . 0.723 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.1 tt -49.73 -36.22 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 11' ' ' LEU . . . . . 0.681 HD23 ' C ' ' X' ' 11' ' ' LEU . 7.5 tt -67.95 -43.28 79.42 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.5 179.69 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' Y' Y ' 1' ' ' THR . . . . . 0.482 HG23 ' O ' ' Y' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.313 0.578 . . . . 0.0 109.518 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 2' ' ' ARG . . . . . 0.446 ' N ' ' OG1' ' Y' ' 1' ' ' THR . 36.9 ptt180 -77.49 -10.09 59.28 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.379 -0.826 . . . . 0.0 109.695 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 3' ' ' THR . . . . . 0.482 ' O ' HG23 ' Y' ' 1' ' ' THR . 10.1 t -134.39 141.56 46.89 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.357 -0.839 . . . . 0.0 109.342 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -120.04 -41.03 2.67 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.572 -0.705 . . . . 0.0 109.798 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 5' ' ' ILE . . . . . 0.407 HD13 HG21 ' Y' ' 5' ' ' ILE . 12.1 pt -132.2 132.33 60.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -128.42 12.43 6.46 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.209 -0.932 . . . . 0.0 109.3 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' Y' Y ' 7' ' ' TRP . . . . . 0.708 ' O ' HG22 ' Y' ' 10' ' ' ILE . 5.3 p-90 -60.05 -47.33 86.29 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.024 0.916 . . . . 0.0 109.207 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 8' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 3.5 p30 -48.26 -38.29 18.34 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.391 -1.443 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 9' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' Y' ' 12' ' ' SER . 25.1 ttpt -59.84 -23.27 63.24 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 10' ' ' ILE . . . . . 0.708 HG22 ' O ' ' Y' ' 7' ' ' TRP . 8.2 tt -49.96 -34.54 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.31 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' Y' Y ' 11' ' ' LEU . . . . . 0.448 HD21 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -69.95 -40.01 75.72 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.518 179.378 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 36.0 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.465 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.517 2.567 . . . . 0.0 119.517 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -89.87 20.44 4.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.866 -1.373 . . . . 0.0 109.788 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 32.8 mp0 -59.96 -40.06 87.72 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.162 -0.961 . . . . 0.0 110.278 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.94 -43.69 98.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.452 -1.405 . . . . 0.0 109.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.02 -36.92 78.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.506 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.1 m -55.67 -50.24 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.652 0.739 . . . . 0.0 110.416 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.82 73.17 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.0 -47.42 62.24 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.621 -1.299 . . . . 0.0 110.154 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.03 -25.05 63.38 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.746 -0.597 . . . . 0.0 110.51 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.328 -0.857 . . . . 0.0 109.952 -178.61 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.589 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 8.2 mp -52.81 -39.97 62.86 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.119 -1.613 . . . . 0.0 109.025 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -66.18 -40.03 85.93 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 120.891 -1.131 . . . . 0.0 112.284 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -81.99 -48.65 11.19 Favored 'General case' 0 N--CA 1.511 2.588 0 O-C-N 119.944 -1.723 . . . . 0.0 113.528 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -38.51 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.415 -1.428 . . . . 0.0 108.089 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.758 ' CD1' HD21 ' A' ' 36' ' ' LEU . 15.5 m-30 -60.0 -37.67 80.38 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.4 -32.67 74.2 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.639 -1.288 . . . . 0.0 110.177 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -55.4 35.65 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.168 -0.958 . . . . 0.0 112.578 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.52 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 36.9 t-80 -81.87 -32.93 30.82 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.062 -1.024 . . . . 0.0 111.05 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.498 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 71.0 m -59.95 -34.32 73.11 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -177.103 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.45 15.75 14.86 Favored Glycine 0 N--CA 1.514 3.844 0 CA-C-N 120.431 1.468 . . . . 0.0 112.404 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.37 11.53 7.47 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-N 119.099 1.45 . . . . 0.0 109.219 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 18' ' ' HIS . 67.5 tt0 -161.48 27.86 0.13 Allowed 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.31 26.86 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 118.919 -1.61 . . . . 0.0 111.465 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.0 t0 -58.14 144.17 41.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.88 -0.777 . . . . 0.0 109.125 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 63.0 tttp -55.07 -50.02 70.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.913 . . . . 0.0 112.465 -177.092 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -118.66 24.02 11.13 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.619 -1.301 . . . . 0.0 111.485 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 24' ' ' ASP . 2.9 mtpm? -133.81 142.71 47.98 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.876 -1.14 . . . . 0.0 109.681 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.498 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 1.9 tp -92.34 108.62 20.1 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.497 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.5 m -72.71 158.27 35.93 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 119.982 -1.699 . . . . 0.0 108.703 178.237 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' SER . 17.5 tptm -42.52 -33.16 0.64 Allowed 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.163 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -84.14 -25.52 29.59 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.281 -1.512 . . . . 0.0 109.911 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' SER . 51.0 mt-10 -69.99 -40.54 75.27 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.651 -1.281 . . . . 0.0 109.856 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.8 pp -65.73 -40.21 91.93 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.923 -1.11 . . . . 0.0 109.267 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 33' ' ' LEU . 73.8 tttt -64.35 -43.4 94.67 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.12 -37.69 64.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.987 -1.071 . . . . 0.0 110.839 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' A' ' 15' ' ' PHE . 51.4 tp -60.0 -50.0 75.45 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -72.0 -40.04 68.79 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.864 0.84 . . . . 0.0 112.249 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 41.8 tt0 -70.01 -42.12 73.43 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.783 0.801 . . . . 0.0 112.205 -177.188 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.0 m -60.03 -47.36 86.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.638 -0.664 . . . . 0.0 112.137 -175.415 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 33.7 mm-40 -99.98 -20.04 16.28 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.754 -1.216 . . . . 0.0 112.141 -176.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -128.03 48.76 2.23 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.981 -1.074 . . . . 0.0 109.307 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.533 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 14.5 t -61.16 -40.9 95.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.521 -0.737 . . . . 0.0 110.505 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 m -79.13 -41.23 29.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.237 -0.914 . . . . 0.0 112.249 -177.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.727 ' O ' ' O ' ' A' ' 45' ' ' LEU . 38.6 t80 -82.34 -105.48 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.527 -1.358 . . . . 0.0 110.733 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.727 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -9.49 147.81 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.263 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.301 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.549 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 21.0 p-10 -91.31 124.85 35.82 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 124.706 3.412 . . . . 0.0 110.552 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -154.68 -90.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.799 -1.188 . . . . 0.0 110.204 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 79.1 mm-40 -60.6 -44.41 96.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.348 -0.845 . . . . 0.0 112.035 -178.079 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HZ3' ' H ' ' A' ' 49' ' ' LYS . 11.0 mtmm -58.63 -17.58 23.31 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -152.47 90.36 1.49 Allowed 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.28 82.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.278 -0.889 . . . . 0.0 109.372 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.99 -38.9 73.7 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -59.99 -40.07 87.93 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.756 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -36.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.403 -1.436 . . . . 0.0 108.794 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.13 -39.92 90.25 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.599 -0.688 . . . . 0.0 110.669 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -64.86 -39.89 94.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.174 -0.954 . . . . 0.0 109.962 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.416 HD11 ' OD2' ' A' ' 46' ' ' ASP . 22.7 mt -69.46 -52.79 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.642 -0.661 . . . . 0.0 111.255 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.497 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -61.24 -35.62 77.75 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.418 -0.801 . . . . 0.0 110.213 -179.077 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -59.95 -47.36 86.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -58.49 -22.38 54.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 63' ' ' GLU . 34.1 mt -94.75 -25.43 16.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.61 -0.681 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.497 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 80.1 m-20 -73.2 47.45 0.21 Allowed 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.8 mm-40 -60.0 -40.78 90.38 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.423 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -77.65 -21.77 51.68 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.93 38.89 25.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 107.408 -2.277 . . . . 0.0 107.408 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 37.2 p-10 -94.48 -11.13 30.28 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 121.454 -1.027 . . . . 0.0 111.756 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.9 76.61 Favored Glycine 0 N--CA 1.504 3.214 0 O-C-N 120.941 -1.099 . . . . 0.0 110.795 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 36.8 mp0 -140.69 172.88 12.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.469 -1.607 . . . . 0.0 108.581 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 61' ' ' LEU . 11.0 t -111.99 129.43 67.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -95.61 150.88 19.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 108.524 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 29.4 t80 -45.15 -32.41 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.134 -0.979 . . . . 0.0 110.432 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.443 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.0 mt-30 -72.85 -25.62 61.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.648 -1.282 . . . . 0.0 108.704 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASP . 85.0 mt-10 -84.59 -40.0 18.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 121.679 0.752 . . . . 0.0 110.293 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.6 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 20.6 t80 -69.07 -46.84 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.602 -0.686 . . . . 0.0 111.188 -177.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.713 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.4 t -60.03 -39.84 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.194 -0.941 . . . . 0.0 109.218 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.9 t -58.03 -37.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.863 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 81' ' ' LEU . 3.4 tm? -69.78 -55.7 9.14 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.205 -0.935 . . . . 0.0 112.994 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 82' ' ' THR . 33.3 m -55.88 -34.57 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 O-C-N 120.313 -1.492 . . . . 0.0 109.587 -178.645 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.728 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -68.25 -38.4 81.77 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.67 -25.05 49.24 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 77' ' ' LEU . 25.0 mt -85.99 -41.35 14.94 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.747 -1.846 . . . . 0.0 109.765 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.0 t -56.54 -43.08 79.52 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.526 -1.359 . . . . 0.0 109.582 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 82' ' ' THR . 16.0 m -60.04 -40.07 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 109.349 177.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.465 ' HB3' ' CZ3' ' X' ' 7' ' ' TRP . . . -61.06 -26.97 68.01 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.02 -39.91 75.53 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.571 -0.706 . . . . 0.0 109.726 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.12 -40.97 91.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.0 109.061 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.6 m120 -61.51 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.399 -0.813 . . . . 0.0 109.5 179.178 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CE1' HD12 ' X' ' 10' ' ' ILE . 3.0 m-85 -88.18 -0.34 56.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.391 -0.818 . . . . 0.0 109.879 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -84.62 -36.45 21.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.928 -1.108 . . . . 0.0 109.28 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -90.45 -2.19 57.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.399 -0.813 . . . . 0.0 111.207 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.345 -1.472 . . . . 0.0 109.259 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -91.69 65.3 5.04 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.186 -0.946 . . . . 0.0 108.67 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 p . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.709 -179.572 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.443 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.868 0 N-CA-C 119.54 2.576 . . . . 0.0 119.54 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m -89.93 20.95 3.87 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.745 -1.444 . . . . 0.0 109.79 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 33.2 mp0 -59.98 -40.03 87.74 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.067 -1.02 . . . . 0.0 110.202 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -43.82 98.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.313 -1.492 . . . . 0.0 109.174 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -36.88 78.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.087 -1.008 . . . . 0.0 108.768 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.499 ' O ' ' OG1' ' B' ' 10' ' ' THR . 18.9 m -55.75 -50.06 71.43 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.653 0.74 . . . . 0.0 110.426 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.04 72.08 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 112.829 0.678 . . . . 0.0 112.829 -177.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.3 -47.29 61.83 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.641 -1.287 . . . . 0.0 110.086 -178.574 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.0 -25.24 63.51 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.719 -0.613 . . . . 0.0 110.495 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -68.65 -57.76 5.23 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.362 -0.836 . . . . 0.0 109.967 -178.589 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.593 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 8.1 mp -52.83 -40.05 63.0 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.166 -1.584 . . . . 0.0 109.003 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.1 -39.98 85.91 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 120.956 -1.09 . . . . 0.0 112.284 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -82.21 -48.59 11.09 Favored 'General case' 0 N--CA 1.511 2.604 0 O-C-N 119.987 -1.696 . . . . 0.0 113.54 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.02 -38.4 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.475 -1.391 . . . . 0.0 108.04 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.758 ' CD1' HD21 ' B' ' 36' ' ' LEU . 15.5 m-30 -59.98 -37.52 79.87 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.62 -32.72 74.22 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.712 -1.243 . . . . 0.0 110.186 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -55.3 36.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.063 -1.023 . . . . 0.0 112.599 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' B' ' 22' ' ' GLU . 36.3 t-80 -81.72 -33.03 31.32 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.038 -1.039 . . . . 0.0 111.139 -178.584 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 67.2 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.73 15.93 14.07 Favored Glycine 0 N--CA 1.514 3.851 0 O-C-N 120.364 -1.46 . . . . 0.0 112.393 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.16 11.11 7.56 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 119.053 1.427 . . . . 0.0 109.245 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' B' ' 18' ' ' HIS . 67.2 tt0 -161.21 27.9 0.14 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.15 26.57 Favored Glycine 0 N--CA 1.482 1.748 0 C-N-CA 118.879 -1.629 . . . . 0.0 111.451 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.546 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 52.8 t0 -58.16 144.21 41.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.895 -0.768 . . . . 0.0 109.198 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 63.5 tttp -55.19 -49.92 70.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 0.0 112.516 -177.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -118.5 23.79 11.3 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 120.539 -1.351 . . . . 0.0 111.516 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.546 ' NZ ' ' OD2' ' B' ' 24' ' ' ASP . 2.9 mtpm? -133.71 142.55 48.04 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.871 -1.143 . . . . 0.0 109.678 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.497 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 1.9 tp -91.9 108.75 20.15 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 32' ' ' GLU . 13.9 m -72.88 158.36 35.67 Favored 'General case' 0 C--N 1.29 -1.988 0 O-C-N 119.934 -1.729 . . . . 0.0 108.671 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' B' ' 29' ' ' SER . 17.3 tptm -42.42 -33.21 0.63 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.438 -0.789 . . . . 0.0 110.137 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -84.18 -25.63 29.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.357 -1.464 . . . . 0.0 109.982 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' SER . 51.1 mt-10 -69.99 -40.41 75.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.717 -1.24 . . . . 0.0 109.811 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.428 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.6 pp -65.44 -40.34 93.15 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.834 -1.166 . . . . 0.0 109.283 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.428 ' N ' HD12 ' B' ' 33' ' ' LEU . 74.4 tttt -64.41 -43.38 94.57 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -176.507 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -73.91 -37.97 64.48 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.154 -0.966 . . . . 0.0 110.782 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' B' ' 15' ' ' PHE . 49.8 tp -59.9 -50.02 75.4 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.331 -0.856 . . . . 0.0 109.475 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.03 -40.03 68.71 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.923 0.868 . . . . 0.0 112.211 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 41.0 tt0 -70.07 -42.04 73.33 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.76 0.791 . . . . 0.0 112.26 -177.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.99 -47.48 85.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.679 -0.638 . . . . 0.0 112.128 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 33.7 mm-40 -99.85 -19.98 16.4 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.785 -1.197 . . . . 0.0 112.074 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -128.15 48.69 2.25 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.979 -1.076 . . . . 0.0 109.321 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.524 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 15.1 t -61.06 -41.03 95.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.6 -0.687 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -79.0 -40.83 30.47 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.213 -0.929 . . . . 0.0 112.266 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' B' ' 45' ' ' LEU . 38.3 t80 -83.55 -92.41 0.07 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.557 -1.339 . . . . 0.0 112.134 -178.091 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.639 HD11 HD13 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -32.47 153.71 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -174.856 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.474 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 20.6 p-10 -90.52 123.88 34.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.502 -2.624 . . . . 0.0 110.241 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -154.68 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.969 -1.082 . . . . 0.0 109.984 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 79.5 mm-40 -60.61 -44.6 96.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 112.021 -178.05 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 10.3 mtmm -58.72 -17.66 24.76 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.2 90.47 1.52 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.43 82.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.864 . . . . 0.0 109.299 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.89 -38.63 73.06 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.06 91.32 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.506 -177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -36.57 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.456 -1.403 . . . . 0.0 108.769 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.16 -40.03 90.24 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.497 -0.752 . . . . 0.0 110.711 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.159 -0.963 . . . . 0.0 109.881 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.418 HD11 ' OD2' ' B' ' 46' ' ' ASP . 23.6 mt -69.35 -52.68 30.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.662 -0.649 . . . . 0.0 111.386 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.494 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -61.33 -35.68 78.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.371 -0.831 . . . . 0.0 110.225 -179.088 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -59.97 -47.5 85.54 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -58.71 -20.73 51.41 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' B' ' 63' ' ' GLU . 34.4 mt -96.17 -25.7 15.74 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.619 -0.675 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.494 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 80.9 m-20 -73.18 47.41 0.2 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.8 mm-40 -59.99 -40.62 89.76 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.463 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -77.76 -21.64 51.46 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.95 38.71 26.08 Favored Glycine 0 N--CA 1.484 1.862 0 N-CA-C 107.426 -2.27 . . . . 0.0 107.426 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.444 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 36.8 p-10 -94.39 -11.32 30.13 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 121.449 -1.03 . . . . 0.0 111.819 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.86 1.78 76.21 Favored Glycine 0 N--CA 1.503 3.116 0 O-C-N 120.862 -1.149 . . . . 0.0 110.774 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 37.1 mp0 -140.65 173.01 11.91 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.344 -1.68 . . . . 0.0 108.451 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.433 ' CG1' HD13 ' B' ' 61' ' ' LEU . 11.0 t -112.02 129.56 67.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 73' ' ' GLU . 95.8 m-20 -95.76 151.03 19.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.153 -0.967 . . . . 0.0 108.433 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 28.9 t80 -45.27 -32.34 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.132 -0.98 . . . . 0.0 110.517 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.448 ' O ' HG23 ' B' ' 76' ' ' VAL . 18.7 mt-30 -72.93 -25.4 61.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.641 -1.287 . . . . 0.0 108.723 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.8 mt-10 -84.72 -40.01 17.83 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.658 0.742 . . . . 0.0 110.248 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.605 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 20.8 t80 -69.09 -46.89 66.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.709 -0.619 . . . . 0.0 111.203 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.728 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.6 t -59.92 -39.87 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.259 -0.9 . . . . 0.0 109.262 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.5 t -58.0 -37.29 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.855 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.817 HD11 HD12 ' B' ' 81' ' ' LEU . 3.4 tm? -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.219 -0.925 . . . . 0.0 113.004 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 79' ' ' ALA . 33.9 m -55.77 -34.69 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 120.331 -1.481 . . . . 0.0 109.528 -178.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.713 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -67.97 -38.71 83.06 Favored 'General case' 0 C--N 1.29 -1.999 0 O-C-N 121.592 -0.692 . . . . 0.0 109.372 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.448 ' O ' HD21 ' Y' ' 11' ' ' LEU . . . -77.51 -24.93 49.92 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.817 HD12 HD11 ' B' ' 77' ' ' LEU . 21.2 mt -85.97 -41.48 14.85 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.772 -1.83 . . . . 0.0 109.823 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.478 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.1 t -56.36 -43.19 78.91 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.541 178.22 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.478 ' N ' HG23 ' B' ' 82' ' ' THR . 16.0 m -60.01 -40.09 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.043 -1.036 . . . . 0.0 109.373 178.042 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.457 ' HB3' ' CZ3' ' Y' ' 7' ' ' TRP . . . -60.95 -26.96 67.89 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.05 -39.82 75.49 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.553 -0.717 . . . . 0.0 109.639 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.03 -41.1 91.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 109.076 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.8 m120 -61.36 -40.02 92.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 109.558 179.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.507 ' CE1' HD12 ' Y' ' 10' ' ' ILE . 3.0 m-30 -88.12 -0.34 56.95 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.349 -0.845 . . . . 0.0 109.893 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -84.61 -36.51 21.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.983 -1.073 . . . . 0.0 109.345 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -90.45 -2.17 57.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.398 -0.814 . . . . 0.0 111.273 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.94 -40.05 87.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.464 -1.397 . . . . 0.0 109.319 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -91.83 65.29 4.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 0.0 108.689 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 59.2 p . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 117.923 -1.037 . . . . 0.0 109.667 -179.715 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.503 2.18 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -130.05 19.63 5.44 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.711 ' O ' HG22 ' X' ' 10' ' ' ILE . 43.8 t90 -60.0 -48.78 80.3 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.239 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.588 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 1.3 t-20 -50.14 -31.52 13.7 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 119.716 -1.865 . . . . 0.0 109.035 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.9 -27.19 68.63 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.711 HG22 ' O ' ' X' ' 7' ' ' TRP . 6.0 tt -48.55 -40.01 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 44.9 tp -69.97 -40.01 75.62 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.952 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.177 -0.952 . . . . 0.0 109.492 -179.739 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 26.6 pt . . . . . 0 N--CA 1.498 1.94 0 CA-C-O 121.904 0.859 . . . . 0.0 110.531 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -111.29 21.01 16.76 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.405 -0.809 . . . . 0.0 109.158 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.73 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.7 t90 -59.96 -50.01 75.42 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.844 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.55 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 2.9 p-10 -50.27 -33.35 19.5 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 119.716 -1.865 . . . . 0.0 109.064 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -59.19 -24.88 63.49 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.73 HG22 ' O ' ' Y' ' 7' ' ' TRP . 4.1 tt -53.41 -35.21 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.45 HD12 ' OE2' ' B' ' 60' ' ' GLU . 0.1 OUTLIER -65.43 -40.1 92.91 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.228 179.705 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.989 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -76.83 159.28 30.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -1.134 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -47.19 -49.77 22.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.14 -0.975 . . . . 0.0 110.583 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.66 -45.21 72.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.917 -1.114 . . . . 0.0 110.347 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.95 -39.64 86.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.006 -1.059 . . . . 0.0 108.866 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 58.1 m -48.95 -50.37 35.86 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.884 0.85 . . . . 0.0 110.069 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.76 -27.7 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.63 -49.55 52.76 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.348 -1.47 . . . . 0.0 110.255 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -68.44 -29.02 67.58 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.775 -0.578 . . . . 0.0 110.71 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -63.25 -57.24 11.11 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.878 -1.139 . . . . 0.0 110.22 -178.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 11' ' ' LEU . 10.1 mp -55.67 -40.11 71.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.251 -1.531 . . . . 0.0 110.254 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.22 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 O-C-N 120.932 -1.105 . . . . 0.0 112.263 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -80.62 -41.77 23.32 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 119.895 -1.753 . . . . 0.0 112.139 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.9 p -60.23 -41.75 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.574 -1.329 . . . . 0.0 108.65 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.463 ' N ' HG13 ' A' ' 14' ' ' VAL . 4.1 t80 -60.0 -39.35 85.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.917 -1.114 . . . . 0.0 109.872 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.26 27.72 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.302 -0.874 . . . . 0.0 112.905 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -78.88 -42.17 27.94 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.692 -1.255 . . . . 0.0 111.654 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.53 7.73 59.82 Favored Glycine 0 N--CA 1.501 2.967 0 O-C-N 120.521 -1.362 . . . . 0.0 112.595 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.41 -59.28 1.84 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.262 1.531 . . . . 0.0 109.702 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.22 16.98 7.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 111.118 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.512 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -164.7 -161.54 13.9 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 118.222 -1.942 . . . . 0.0 112.429 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.6 m-20 -59.89 143.57 51.06 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -51.89 -51.2 58.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.635 -0.665 . . . . 0.0 111.113 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.562 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 54.0 t80 -113.19 17.71 18.47 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.624 -1.298 . . . . 0.0 111.845 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -137.68 146.44 43.83 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.437 -1.415 . . . . 0.0 109.928 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.5 tp -92.81 165.98 12.65 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.052 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.538 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 58.0 m -131.75 164.34 26.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.226 -0.921 . . . . 0.0 109.664 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.27 -39.98 23.34 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.039 -1.038 . . . . 0.0 111.124 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.64 -31.25 36.52 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 119.912 -1.742 . . . . 0.0 110.563 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.538 ' HB2' ' H ' ' A' ' 29' ' ' SER . 71.7 mt-10 -70.07 -38.38 75.72 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.396 -1.44 . . . . 0.0 110.855 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.6 pp -63.04 -45.18 93.48 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.452 -1.405 . . . . 0.0 109.813 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.532 ' N ' HD12 ' A' ' 33' ' ' LEU . 60.1 tttm -59.93 -38.95 83.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.13 -0.981 . . . . 0.0 111.24 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -71.77 -42.84 66.69 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.291 -0.881 . . . . 0.0 111.635 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.96 -49.91 72.87 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.56 0.695 . . . . 0.0 110.757 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.715 HD12 HD22 ' A' ' 45' ' ' LEU . 4.2 mm? -70.51 -42.53 71.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.507 -0.745 . . . . 0.0 112.375 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.488 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 1.9 pt20 -69.67 -41.68 75.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.938 -1.101 . . . . 0.0 112.708 -176.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -50.95 -48.76 60.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.48 -0.762 . . . . 0.0 111.244 -175.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.99 -22.73 15.14 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.248 -0.907 . . . . 0.0 111.269 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.44 HD13 HD13 ' A' ' 45' ' ' LEU . 89.8 mt -120.0 31.15 6.65 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -49.94 -61.61 2.04 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.507 0.67 . . . . 0.0 109.623 179.273 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.7 p -69.9 -21.19 63.33 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.655 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -87.91 -103.87 0.08 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.202 -1.561 . . . . 0.0 110.151 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 HD12 ' A' ' 37' ' ' LEU . 2.1 mp -15.42 153.52 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.592 175.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.588 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 0.5 OUTLIER -93.43 99.66 12.11 Favored 'General case' 0 N--CA 1.516 2.832 0 CA-C-N 123.937 3.062 . . . . 0.0 109.268 173.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 48' ' ' GLN . 45.9 t -128.39 -79.69 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.702 0 O-C-N 120.677 -1.264 . . . . 0.0 108.888 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.424 ' N ' HG12 ' A' ' 47' ' ' VAL . 38.4 mt-30 -61.81 -39.89 93.32 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.693 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.466 ' CE ' ' O ' ' A' ' 42' ' ' SER . 2.3 mmtt -65.91 -18.27 65.22 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -146.53 88.65 1.79 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.17 64.54 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -60.2 -39.82 87.92 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.94 81.07 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.23 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -39.83 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.585 -1.322 . . . . 0.0 108.605 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -63.17 -40.08 96.5 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.737 -0.602 . . . . 0.0 111.073 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.21 -39.94 94.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 108.553 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.455 HD12 HD21 ' A' ' 77' ' ' LEU . 17.8 mm -63.54 -46.5 94.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.638 -0.664 . . . . 0.0 110.512 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.4 mmm -59.48 -39.73 84.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.949 -1.094 . . . . 0.0 109.252 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -46.78 88.4 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.29 -31.74 72.97 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.515 -0.74 . . . . 0.0 109.182 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 63' ' ' GLU . 40.2 mt -93.59 -17.15 23.63 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.325 -0.859 . . . . 0.0 110.665 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' MET . 96.0 m-20 -77.49 42.92 0.37 Allowed 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.6 mt-10 -60.03 -41.05 91.37 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.938 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -74.78 -18.98 60.39 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.62 33.61 63.54 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 107.814 -2.114 . . . . 0.0 107.814 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -93.47 -8.3 41.96 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.514 -0.992 . . . . 0.0 112.101 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 11.34 80.85 Favored Glycine 0 N--CA 1.503 3.149 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -133.13 173.28 11.6 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 5.6 t -128.53 126.99 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.738 -1.227 . . . . 0.0 108.777 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -93.14 155.04 17.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 108.928 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.88 -21.88 4.81 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.437 -0.79 . . . . 0.0 109.672 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.1 tm0? -78.29 -23.78 47.01 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.163 0.982 . . . . 0.0 108.417 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -85.36 -49.18 8.34 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.861 0.838 . . . . 0.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.527 ' CE1' HD21 ' A' ' 37' ' ' LEU . 10.2 t80 -60.12 -49.68 76.67 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.218 0.532 . . . . 0.0 111.177 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -38.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.178 -0.951 . . . . 0.0 109.573 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.5 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.962 -1.086 . . . . 0.0 109.166 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.455 HD21 HD12 ' A' ' 57' ' ' ILE . 1.5 tm? -63.84 -56.38 15.82 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.642 -0.661 . . . . 0.0 112.694 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.498 ' O ' HG22 ' A' ' 82' ' ' THR . 27.7 m -59.91 -36.57 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.662 -1.274 . . . . 0.0 109.928 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.416 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -64.07 -41.35 97.37 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 121.555 0.693 . . . . 0.0 111.305 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.31 -24.01 46.85 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.988 HD12 ' N ' ' A' ' 82' ' ' THR . 3.9 pp -81.6 -45.26 16.08 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 119.459 -2.026 . . . . 0.0 109.659 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.988 ' N ' HD12 ' A' ' 81' ' ' LEU . 1.8 t -52.89 -45.6 67.59 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.134 -0.979 . . . . 0.0 110.181 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 12.2 m -56.65 -40.83 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.945 -1.097 . . . . 0.0 109.055 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.07 -26.58 68.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.476 -0.765 . . . . 0.0 109.034 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.61 -42.54 70.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.16 -0.962 . . . . 0.0 110.035 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.76 -41.95 98.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 0.0 110.316 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -66.94 -39.83 87.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.269 -0.894 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -80.45 -11.04 59.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -78.87 -30.29 44.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.197 -0.939 . . . . 0.0 109.02 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 . . . . . 0 N--CA 1.489 1.506 0 O-C-N 121.484 -0.76 . . . . 0.0 110.246 -179.154 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 N--CA 1.489 1.52 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -46.96 -49.99 19.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.067 -1.021 . . . . 0.0 110.562 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.49 -44.99 73.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.907 -1.121 . . . . 0.0 110.401 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.62 -39.11 87.01 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.014 -1.054 . . . . 0.0 108.833 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.458 ' O ' ' OG1' ' B' ' 10' ' ' THR . 61.7 m -49.29 -50.34 39.68 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.903 0.859 . . . . 0.0 110.045 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.78 -27.35 65.81 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.79 -49.36 53.6 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.449 -1.407 . . . . 0.0 110.214 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.69 -29.08 67.45 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.712 -0.617 . . . . 0.0 110.667 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.1 OUTLIER -63.07 -57.3 11.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.134 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' HD12 ' B' ' 11' ' ' LEU . 10.1 mp -55.65 -39.91 71.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.233 -1.542 . . . . 0.0 110.192 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.47 -39.96 87.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.49 -42.17 23.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 119.959 -1.713 . . . . 0.0 112.128 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.472 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.9 p -60.01 -41.61 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.591 -1.318 . . . . 0.0 108.578 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.472 ' N ' HG13 ' B' ' 14' ' ' VAL . 5.0 t80 -59.93 -39.68 86.29 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -59.96 -40.09 87.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.975 -1.078 . . . . 0.0 109.834 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.2 -55.51 23.76 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.301 -0.874 . . . . 0.0 112.973 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -78.84 -42.63 27.07 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.828 -1.17 . . . . 0.0 111.724 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 24' ' ' ASP . 4.3 t -63.72 -31.7 72.96 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -178.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.52 7.64 59.79 Favored Glycine 0 N--CA 1.502 3.071 0 O-C-N 120.486 -1.384 . . . . 0.0 112.695 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.48 -58.98 1.87 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.335 1.568 . . . . 0.0 109.71 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.46 17.06 7.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.07 -1.019 . . . . 0.0 111.235 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.511 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -164.66 -161.52 13.83 Favored Glycine 0 N--CA 1.493 2.434 0 C-N-CA 118.299 -1.905 . . . . 0.0 112.352 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.5 m-20 -60.02 143.65 51.36 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.686 0.755 . . . . 0.0 110.227 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -51.89 -51.26 58.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.658 -0.651 . . . . 0.0 111.2 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -113.05 17.51 18.75 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.633 -1.292 . . . . 0.0 111.817 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -137.73 146.34 43.58 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.393 -1.442 . . . . 0.0 110.001 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' B' ' 15' ' ' PHE . 7.5 tp -92.61 166.24 12.59 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.074 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.545 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 63.1 m -132.07 164.57 25.95 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.244 -0.91 . . . . 0.0 109.698 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.38 -39.96 24.05 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.111 -0.993 . . . . 0.0 111.221 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -80.82 -31.26 35.66 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 119.875 -1.766 . . . . 0.0 110.517 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.545 ' HB2' ' H ' ' B' ' 29' ' ' SER . 71.6 mt-10 -70.01 -38.67 75.99 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.348 -1.47 . . . . 0.0 110.757 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.513 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.5 pp -62.57 -45.27 93.68 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.469 -1.394 . . . . 0.0 109.675 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.513 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.6 tttm -60.37 -38.56 84.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 111.231 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -72.01 -42.51 66.31 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.313 -0.867 . . . . 0.0 111.444 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.13 -49.97 72.31 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.616 0.722 . . . . 0.0 110.583 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.689 HD12 HD22 ' B' ' 45' ' ' LEU . 4.3 mm? -70.47 -42.86 70.88 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.519 -0.738 . . . . 0.0 112.365 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.482 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 1.8 pt20 -69.33 -41.49 76.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.985 -1.072 . . . . 0.0 112.782 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -51.22 -48.69 62.0 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.436 -0.79 . . . . 0.0 111.277 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.97 -22.59 15.21 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.196 -0.94 . . . . 0.0 111.257 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.407 HD13 HD13 ' B' ' 45' ' ' LEU . 90.5 mt -120.08 31.1 6.66 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.475 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -50.03 -61.27 2.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.522 0.677 . . . . 0.0 109.563 179.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -70.32 -20.23 63.02 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' B' ' 44' ' ' PHE . 1.8 t80 -89.71 -89.7 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.254 -1.529 . . . . 0.0 111.95 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.697 HD11 HD22 ' B' ' 81' ' ' LEU . 1.4 mp -39.68 160.04 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' Y' ' 7' ' ' TRP . 0.5 OUTLIER -92.63 98.87 11.7 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 121.944 2.157 . . . . 0.0 109.094 177.286 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.45 -79.11 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 O-C-N 121.061 -1.024 . . . . 0.0 108.863 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.21 -39.95 94.47 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.7 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' O ' ' B' ' 42' ' ' SER . 2.1 mmtt -65.75 -18.39 65.3 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -146.44 88.59 1.79 Allowed 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -32.02 64.57 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.26 -39.78 87.98 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -41.02 81.79 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.926 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -39.53 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.476 -1.39 . . . . 0.0 108.889 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -63.14 -39.88 95.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.721 -0.612 . . . . 0.0 111.041 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.26 -40.14 95.2 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.887 -1.133 . . . . 0.0 108.628 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.476 HD12 HD21 ' B' ' 77' ' ' LEU . 19.9 mm -63.57 -46.05 96.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.576 -0.703 . . . . 0.0 110.487 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.579 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.3 mmm -59.72 -39.79 85.85 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.966 -1.084 . . . . 0.0 109.298 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -46.66 88.81 Favored 'General case' 0 C--N 1.279 -2.48 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.45 ' OE2' HD12 ' Y' ' 11' ' ' LEU . 89.3 tt0 -64.34 -29.5 70.57 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.64 -0.662 . . . . 0.0 109.496 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' B' ' 63' ' ' GLU . 38.5 mt -95.11 -17.43 21.83 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 58' ' ' MET . 95.9 m-20 -77.28 42.73 0.35 Allowed 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.11 -40.78 90.89 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.369 -0.932 . . . . 0.0 108.987 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -75.24 -18.96 59.99 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.42 63.1 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 107.686 -2.165 . . . . 0.0 107.686 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -93.25 -8.52 42.01 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.637 -0.92 . . . . 0.0 112.012 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.04 11.33 81.5 Favored Glycine 0 N--CA 1.501 2.971 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -133.22 173.6 11.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.452 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 5.1 t -128.57 127.12 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.737 -1.227 . . . . 0.0 108.806 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -93.61 154.67 17.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.307 -0.871 . . . . 0.0 108.967 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -52.51 -22.12 4.52 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.544 -0.723 . . . . 0.0 109.617 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.54 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.1 tm0? -78.17 -23.71 47.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.154 0.978 . . . . 0.0 108.513 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -85.59 -49.01 8.36 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.833 0.825 . . . . 0.0 109.228 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' B' ' 37' ' ' LEU . 11.1 t80 -60.16 -49.64 76.84 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.256 0.551 . . . . 0.0 111.065 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.408 HG12 ' HB1' ' A' ' 79' ' ' ALA . 52.2 t -60.04 -38.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.5 t -60.25 -39.87 82.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.117 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.476 HD21 HD12 ' B' ' 57' ' ' ILE . 1.5 tm? -63.62 -56.4 16.1 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 121.571 -0.705 . . . . 0.0 112.747 -177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.493 ' O ' HG22 ' B' ' 82' ' ' THR . 35.5 m -60.04 -36.02 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.643 -1.285 . . . . 0.0 109.878 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.408 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -64.53 -41.54 96.3 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-O 121.527 0.68 . . . . 0.0 111.293 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.455 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.27 -23.77 47.11 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.995 HD12 ' N ' ' B' ' 82' ' ' THR . 4.1 pp -82.14 -44.23 16.73 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 119.417 -2.052 . . . . 0.0 109.721 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.995 ' N ' HD12 ' B' ' 81' ' ' LEU . 1.9 t -54.03 -45.09 71.5 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.018 -1.051 . . . . 0.0 110.007 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 13.6 m -57.01 -40.57 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.029 -1.044 . . . . 0.0 109.125 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.432 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.27 -26.72 68.62 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.57 -42.65 70.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.173 -0.954 . . . . 0.0 110.084 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.52 -42.18 98.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.264 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.68 -40.04 88.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.239 -0.913 . . . . 0.0 110.718 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.31 -10.97 59.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.751 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -79.08 -29.97 43.68 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.188 -0.945 . . . . 0.0 108.899 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 . . . . . 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.751 . . . . 0.0 110.182 -179.209 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' X' ' 7' ' ' TRP . 10.7 pt . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . 0.443 ' OD1' ' OD2' ' A' ' 50' ' ' ASP . 32.6 m-20 43.44 19.71 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.196 -0.94 . . . . 0.0 110.327 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.68 ' CZ3' HD22 ' A' ' 81' ' ' LEU . 39.4 t90 -60.17 -49.97 75.51 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.156 0.979 . . . . 0.0 110.079 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.783 ' ND2' HD21 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -54.24 -30.17 49.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.595 -1.315 . . . . 0.0 108.959 -179.614 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.626 ' NZ ' ' NZ ' ' A' ' 56' ' ' LYS . 10.1 ttmm -59.93 -25.08 64.87 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.662 HG22 ' O ' ' X' ' 7' ' ' TRP . 5.5 tt -54.94 -39.37 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.423 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 55.6 tp -66.18 -41.45 90.27 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.296 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.4 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 12.2 t . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.407 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.508 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.2 pt . . . . . 0 N--CA 1.491 1.613 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.18 18.35 21.8 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.225 -0.922 . . . . 0.0 108.69 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.671 ' O ' HG22 ' Y' ' 10' ' ' ILE . 41.0 t90 -60.02 -50.07 75.18 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.598 -0.689 . . . . 0.0 111.838 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.679 ' ND2' HD21 ' B' ' 81' ' ' LEU . 0.3 OUTLIER -54.53 -33.14 59.48 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 119.597 -1.94 . . . . 0.0 109.158 -178.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.97 -24.29 64.3 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.671 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -51.3 -37.33 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.412 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 58.3 tp -64.16 -40.17 95.57 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.378 179.594 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.571 2.588 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -76.72 156.6 32.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.209 -1.171 . . . . 0.0 109.42 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -42.37 -57.4 2.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.21 -41.06 90.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.03 -1.044 . . . . 0.0 110.004 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.47 -32.84 74.41 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.037 -1.039 . . . . 0.0 109.634 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.4 m -59.15 -47.99 83.25 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.927 0.87 . . . . 0.0 109.339 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.2 68.3 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.52 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 ttt -70.63 -48.43 55.08 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.452 -1.405 . . . . 0.0 110.44 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.96 -25.84 63.82 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.705 -0.622 . . . . 0.0 110.359 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -66.94 -57.95 5.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.953 -1.092 . . . . 0.0 109.765 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 11' ' ' LEU . 8.9 mp -54.2 -39.98 67.18 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.222 -1.549 . . . . 0.0 110.294 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.84 -40.02 82.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.038 -1.039 . . . . 0.0 112.63 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -80.66 -42.65 21.7 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 119.891 -1.755 . . . . 0.0 112.304 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.7 p -59.9 -40.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.701 -1.249 . . . . 0.0 108.4 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 28' ' ' LEU . 9.1 t80 -60.48 -39.62 88.33 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.897 -1.127 . . . . 0.0 110.599 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.34 23.03 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -78.66 -45.15 22.08 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.973 -1.08 . . . . 0.0 110.694 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 61.3 p -60.04 -26.58 66.23 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.741 -0.599 . . . . 0.0 112.515 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 3.96 57.39 Favored Glycine 0 N--CA 1.5 2.942 0 O-C-N 120.793 -1.192 . . . . 0.0 111.346 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 23' ' ' GLY . 67.2 mttm -124.22 -65.15 1.07 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.311 -1.111 . . . . 0.0 108.945 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.9 20.7 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.186 -0.946 . . . . 0.0 109.891 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 175.08 -174.29 46.68 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 118.721 -1.705 . . . . 0.0 112.317 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 36.8 t0 -39.29 152.34 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.556 0.693 . . . . 0.0 110.153 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 3.5 mptp? -52.08 -40.01 60.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.548 -0.72 . . . . 0.0 112.363 -176.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -135.89 35.99 2.85 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.309 -1.495 . . . . 0.0 112.348 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -140.37 147.02 39.16 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.653 -1.279 . . . . 0.0 109.493 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -94.28 162.38 13.87 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.067 0.937 . . . . 0.0 108.503 -179.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.575 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.7 t -130.66 161.04 32.51 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' SER . 55.7 tttt -47.08 -34.09 5.57 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 117.668 -1.613 . . . . 0.0 111.48 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -81.02 -30.05 35.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.195 -1.566 . . . . 0.0 110.545 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.575 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.7 mt-10 -73.59 -39.95 64.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.405 -1.434 . . . . 0.0 110.719 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.6 pp -59.94 -44.87 94.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.493 -1.38 . . . . 0.0 108.747 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.601 ' N ' HD12 ' A' ' 33' ' ' LEU . 83.6 tttt -63.6 -39.96 95.7 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.79 -0.569 . . . . 0.0 111.961 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.743 -1.223 . . . . 0.0 110.859 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.538 HD23 ' CE1' ' A' ' 74' ' ' PHE . 52.3 tp -63.49 -41.86 98.56 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.499 0.666 . . . . 0.0 110.842 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.42 HD21 ' CE1' ' A' ' 74' ' ' PHE . 89.5 mt -79.07 -46.85 17.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' THR . 2.5 pt20 -65.26 -39.9 93.23 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.915 0.865 . . . . 0.0 112.981 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.5 m -52.65 -45.25 66.64 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.836 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -101.61 -16.88 16.59 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.082 -1.011 . . . . 0.0 111.778 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 45' ' ' LEU . 43.2 mt -132.9 50.0 2.27 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.88 -1.138 . . . . 0.0 109.286 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 25.8 p -63.0 -49.83 73.14 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 110.699 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -68.39 -39.95 81.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.155 -0.965 . . . . 0.0 111.688 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.588 ' O ' ' C ' ' A' ' 45' ' ' LEU . 13.9 t80 -83.83 -106.18 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.588 ' C ' ' O ' ' A' ' 44' ' ' PHE . 3.8 mp -9.69 127.65 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.237 0 CA-C-O 114.906 -2.473 . . . . 0.0 109.774 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -91.13 117.1 29.34 Favored 'General case' 0 N--CA 1.525 3.3 1 CA-C-N 127.9 4.864 . . . . 0.0 110.067 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 48' ' ' GLN . 21.3 m -148.76 -40.19 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.77 -1.206 . . . . 0.0 110.129 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.478 ' N ' HG23 ' A' ' 47' ' ' VAL . 13.2 pt20 -94.43 -40.37 9.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.044 -1.035 . . . . 0.0 111.806 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.1 -52.38 65.57 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 178.362 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.443 ' OD2' ' OD1' ' X' ' 6' ' ' ASP . 81.5 m-20 -104.37 95.06 5.68 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.6 72.09 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 50.8 t0 -59.91 -38.35 82.05 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.4 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.563 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -34.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.594 -1.316 . . . . 0.0 108.616 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 61.3 t0 -65.68 -40.01 91.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.977 -1.077 . . . . 0.0 110.496 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.626 ' NZ ' ' NZ ' ' X' ' 9' ' ' LYS . 4.8 mmmm -69.47 -42.96 74.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.202 -0.936 . . . . 0.0 110.557 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.16 -55.76 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.9 ttt -59.9 -32.42 70.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.67 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -49.78 76.32 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.301 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -24.91 63.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.754 HD11 ' O ' ' A' ' 73' ' ' GLU . 5.5 tp -81.33 -15.82 54.22 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 55.3 t0 -90.75 65.08 5.77 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.44 -35.59 81.37 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.794 -0.566 . . . . 0.0 110.107 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.537 HD21 ' CG ' ' A' ' 66' ' ' ASP . 25.7 p-10 -71.54 -12.88 61.6 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.51 68.33 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.537 ' CG ' HD21 ' A' ' 64' ' ' ASN . 32.5 p-10 -93.71 -117.36 0.09 Allowed 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.535 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -158.76 26.8 0.39 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -133.14 173.93 10.91 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.16 129.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 120.593 -1.317 . . . . 0.0 109.011 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -96.03 149.86 21.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.82 -1.175 . . . . 0.0 108.289 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -45.32 -31.94 1.81 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.097 -1.002 . . . . 0.0 110.012 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 76.3 mt-30 -69.97 -33.15 71.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.603 -1.311 . . . . 0.0 108.328 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.754 ' O ' HD11 ' A' ' 61' ' ' LEU . 51.9 mt-10 -78.63 -49.36 13.35 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.823 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE1' HD23 ' A' ' 36' ' ' LEU . 68.5 t80 -60.03 -48.78 80.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.49 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.9 -34.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.096 -1.002 . . . . 0.0 110.406 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.6 t -59.91 -40.44 82.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.809 -1.182 . . . . 0.0 110.198 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 77' ' ' LEU . 1.8 tm? -64.41 -48.82 73.94 Favored 'General case' 0 N--CA 1.51 2.553 0 O-C-N 120.906 -1.121 . . . . 0.0 111.922 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.482 ' N ' HD13 ' A' ' 77' ' ' LEU . 1.5 t -59.92 -40.06 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.781 -1.199 . . . . 0.0 109.739 -178.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.98 97.02 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 121.632 0.73 . . . . 0.0 111.738 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.6 -23.28 49.91 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.783 HD21 ' ND2' ' X' ' 8' ' ' ASN . 12.1 mt -80.84 -41.39 23.28 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.439 -2.038 . . . . 0.0 109.707 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -55.45 -45.1 76.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.238 -0.914 . . . . 0.0 109.983 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 84' ' ' ALA . 11.6 m -60.03 -40.76 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.136 -0.978 . . . . 0.0 109.964 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -61.52 -26.3 67.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.483 -0.761 . . . . 0.0 109.136 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -72.49 -47.06 51.69 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.574 -0.704 . . . . 0.0 110.765 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -63.22 -42.54 99.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.99 -1.069 . . . . 0.0 110.613 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -61.63 -40.02 93.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.286 -0.884 . . . . 0.0 110.987 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 64.9 t80 -88.78 -9.92 50.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.044 . . . . 0.0 110.112 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -73.43 -37.27 65.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 0.0 108.887 179.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.5 m95 . . . . . 0 N--CA 1.487 1.393 0 O-C-N 121.419 -0.801 . . . . 0.0 110.518 -179.248 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 31.9 t . . . . . 0 N--CA 1.492 1.645 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 79.0 mm-40 -42.03 -57.35 2.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.371 -0.831 . . . . 0.0 110.871 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.53 -40.88 89.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.952 -1.093 . . . . 0.0 110.004 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.77 -32.54 74.07 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.06 -1.025 . . . . 0.0 109.57 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.451 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -59.39 -47.82 83.99 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.972 0.891 . . . . 0.0 109.279 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.97 -27.75 67.7 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.59 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ttt -70.74 -48.28 55.32 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.528 -1.357 . . . . 0.0 110.34 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.0 -25.87 63.8 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.604 -0.685 . . . . 0.0 110.412 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -66.94 -57.88 6.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.965 -1.085 . . . . 0.0 109.803 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.433 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.9 mp -54.26 -40.12 67.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.123 -1.61 . . . . 0.0 110.243 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.7 mt -67.73 -39.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -80.68 -42.59 21.77 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 119.94 -1.725 . . . . 0.0 112.263 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.487 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.2 p -60.02 -40.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.726 -1.234 . . . . 0.0 108.286 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.668 ' CE2' HD13 ' B' ' 28' ' ' LEU . 10.1 t80 -60.3 -39.67 87.76 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.758 -1.214 . . . . 0.0 110.462 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -56.28 23.78 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -78.73 -45.09 21.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.994 -1.066 . . . . 0.0 110.698 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.481 ' O ' ' O ' ' B' ' 24' ' ' ASP . 59.8 p -59.92 -27.13 66.5 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.792 -0.568 . . . . 0.0 112.47 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.78 4.26 57.73 Favored Glycine 0 N--CA 1.501 2.971 0 O-C-N 120.803 -1.186 . . . . 0.0 111.386 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' B' ' 23' ' ' GLY . 68.6 mttm -124.05 -65.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.273 -1.134 . . . . 0.0 108.818 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.94 20.72 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.123 -0.986 . . . . 0.0 110.044 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 175.36 -174.05 46.59 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 118.652 -1.737 . . . . 0.0 112.319 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 37.2 t0 -39.57 152.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.522 0.677 . . . . 0.0 110.225 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 3.5 mptp? -51.93 -40.09 60.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.533 -0.73 . . . . 0.0 112.354 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -135.71 35.65 2.9 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.356 -1.465 . . . . 0.0 112.372 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -140.2 146.7 39.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.651 -1.281 . . . . 0.0 109.503 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.668 HD13 ' CE2' ' B' ' 15' ' ' PHE . 1.0 OUTLIER -93.81 162.31 13.97 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 122.109 0.957 . . . . 0.0 108.594 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.567 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.6 t -130.55 161.1 32.25 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -47.19 -34.05 5.95 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 117.646 -1.621 . . . . 0.0 111.453 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -81.11 -29.99 34.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.151 -1.593 . . . . 0.0 110.409 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' H ' ' B' ' 29' ' ' SER . 49.4 mt-10 -73.53 -40.05 64.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.483 -1.386 . . . . 0.0 110.68 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.607 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.6 pp -59.91 -44.66 94.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.547 -1.345 . . . . 0.0 108.773 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.607 ' N ' HD12 ' B' ' 33' ' ' LEU . 83.1 tttt -63.7 -39.97 95.62 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.07 -40.01 75.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.634 -1.291 . . . . 0.0 110.886 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' B' ' 74' ' ' PHE . 50.2 tp -63.64 -41.65 98.22 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-O 121.549 0.69 . . . . 0.0 110.808 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' B' ' 74' ' ' PHE . 89.2 mt -79.13 -46.84 17.2 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' B' ' 39' ' ' THR . 2.5 pt20 -65.22 -39.97 93.47 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.878 0.847 . . . . 0.0 112.904 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.454 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 69.5 m -52.45 -45.52 66.06 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.872 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -101.52 -16.9 16.64 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.08 -1.012 . . . . 0.0 111.773 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.544 HD13 HD13 ' B' ' 45' ' ' LEU . 40.4 mt -132.74 49.96 2.27 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.886 -1.133 . . . . 0.0 109.214 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.519 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 22.8 p -63.03 -49.71 73.55 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.881 . . . . 0.0 110.673 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.4 t -68.19 -39.97 82.32 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.191 -0.943 . . . . 0.0 111.814 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.2 t80 -84.53 -92.29 0.08 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.796 -1.19 . . . . 0.0 112.778 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.544 HD13 HD13 ' B' ' 41' ' ' LEU . 3.0 mp -33.52 134.86 0.13 Allowed 'General case' 0 N--CA 1.515 2.798 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.494 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.508 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.3 t0 -90.82 116.34 28.58 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-N 125.033 3.56 . . . . 0.0 109.726 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 48' ' ' GLN . 23.0 m -148.66 -39.97 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.056 . . . . 0.0 109.888 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.467 ' N ' HG23 ' B' ' 47' ' ' VAL . 13.0 pt20 -94.38 -40.5 9.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.155 -0.966 . . . . 0.0 111.842 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.519 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -59.98 -52.55 64.92 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -104.47 95.37 5.88 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.29 71.78 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 52' ' ' ASP . 50.3 t0 -59.94 -38.29 81.98 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.28 93.83 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.216 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -34.55 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.558 -1.339 . . . . 0.0 108.746 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' B' ' 55' ' ' ASP . 61.2 t0 -65.52 -40.01 92.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.967 -1.083 . . . . 0.0 110.505 -178.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -69.28 -43.27 74.22 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.224 -0.923 . . . . 0.0 110.505 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.94 -55.8 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.523 -0.736 . . . . 0.0 110.166 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.1 ttt -59.97 -32.52 70.9 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.524 -0.735 . . . . 0.0 109.691 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -49.99 75.53 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 118.89 -1.124 . . . . 0.0 108.324 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -70.53 -22.92 62.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.978 . . . . 0.0 108.697 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.744 HD11 ' O ' ' B' ' 73' ' ' GLU . 5.5 tp -82.94 -15.9 49.5 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -90.64 65.1 5.88 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -35.56 81.24 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.078 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.533 HD21 ' CG ' ' B' ' 66' ' ' ASP . 25.1 p-10 -71.51 -12.97 61.65 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.76 25.22 67.82 Favored Glycine 0 N--CA 1.485 1.905 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.533 ' CG ' HD21 ' B' ' 64' ' ' ASN . 32.5 p-10 -93.97 -117.31 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.532 ' H ' ' CG ' ' B' ' 66' ' ' ASP . . . -158.89 26.85 0.39 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -133.14 173.87 10.98 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.98 129.79 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.601 -1.312 . . . . 0.0 109.066 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 73' ' ' GLU . 96.0 m-20 -95.94 149.56 21.42 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.812 -1.18 . . . . 0.0 108.331 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' B' ' 75' ' ' VAL . 31.1 t80 -45.33 -31.62 1.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.047 . . . . 0.0 110.089 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.51 ' O ' HG23 ' B' ' 76' ' ' VAL . 75.5 mt-30 -70.05 -33.19 71.63 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 108.337 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.744 ' O ' HD11 ' B' ' 61' ' ' LEU . 52.0 mt-10 -78.55 -49.34 13.49 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.804 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.518 ' CE1' HD23 ' B' ' 36' ' ' LEU . 69.6 t80 -59.85 -49.08 79.11 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.191 -0.943 . . . . 0.0 112.426 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' B' ' 71' ' ' PHE . 39.8 t -60.02 -33.89 54.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.091 -1.006 . . . . 0.0 110.309 -177.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 72' ' ' GLN . 51.2 t -59.84 -40.57 83.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.889 -1.132 . . . . 0.0 110.239 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.738 HD13 ' C ' ' B' ' 77' ' ' LEU . 1.7 tm? -64.52 -48.82 73.68 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.887 -1.133 . . . . 0.0 111.989 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.486 ' N ' HD13 ' B' ' 77' ' ' LEU . 1.4 t -59.9 -40.08 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 120.566 -1.334 . . . . 0.0 109.66 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.45 97.13 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-O 121.689 0.756 . . . . 0.0 111.803 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.03 -23.23 48.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.679 HD21 ' ND2' ' Y' ' 8' ' ' ASN . 12.3 mt -81.19 -40.66 23.54 Favored 'General case' 0 N--CA 1.511 2.598 0 O-C-N 119.392 -2.068 . . . . 0.0 109.561 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -55.99 -45.19 79.09 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.268 -0.895 . . . . 0.0 109.918 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.437 HG23 ' N ' ' B' ' 84' ' ' ALA . 11.9 m -60.0 -40.82 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.056 -1.028 . . . . 0.0 109.929 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.437 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -61.24 -26.41 67.73 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.465 -0.772 . . . . 0.0 109.066 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -72.68 -47.16 49.63 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.654 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -63.29 -42.12 99.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.1 -1.0 . . . . 0.0 110.692 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -61.87 -40.01 93.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.284 -0.885 . . . . 0.0 111.063 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 65.2 t80 -88.8 -9.85 50.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.107 -0.995 . . . . 0.0 109.984 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -73.54 -37.15 65.69 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.219 -0.925 . . . . 0.0 109.023 179.495 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 N--CA 1.486 1.348 0 O-C-N 121.453 -0.78 . . . . 0.0 110.365 -179.267 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' X' ' 7' ' ' TRP . 5.1 pt . . . . . 0 N--CA 1.488 1.43 0 CA-C-O 120.981 0.419 . . . . 0.0 110.36 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 47.35 18.37 0.1 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.039 -1.038 . . . . 0.0 110.447 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.647 ' O ' HG22 ' X' ' 10' ' ' ILE . 32.4 t90 -60.09 -49.9 75.84 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.03 -1.044 . . . . 0.0 110.418 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.628 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.3 -35.68 38.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.776 -1.828 . . . . 0.0 109.14 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.42 ' HZ3' ' HD3' ' A' ' 56' ' ' LYS . 34.0 tttp -56.1 -23.4 33.85 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.647 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -55.07 -38.44 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 66.4 tp -59.92 -43.96 94.58 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 117.902 -1.047 . . . . 0.0 109.26 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' Y' ' 5' ' ' ILE . 0.7 OUTLIER . . . . . 0 N--CA 1.504 2.25 0 CA-C-O 122.703 1.239 . . . . 0.0 110.707 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . 0.473 ' HB3' ' HZ2' ' Y' ' 9' ' ' LYS . 92.4 m-20 -98.14 27.87 4.35 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.612 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.5 t90 -59.97 -48.04 83.35 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.684 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.467 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 10.8 p-10 -49.26 -38.22 26.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.341 -1.474 . . . . 0.0 109.083 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.473 ' HZ2' ' HB3' ' Y' ' 6' ' ' ASP . 4.9 ttpm? -59.49 -24.45 63.61 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.612 HG22 ' O ' ' Y' ' 7' ' ' TRP . 12.9 tt -52.83 -34.05 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' B' ' 80' ' ' ALA . 0.2 OUTLIER -65.42 -38.18 89.15 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.7 t . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.614 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.429 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 39.8 m -80.39 167.61 19.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.132 -1.217 . . . . 0.0 109.088 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -60.05 -43.38 95.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.893 -1.129 . . . . 0.0 111.452 -178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.2 -41.69 89.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.371 -1.455 . . . . 0.0 111.467 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 2' ' ' SER . 14.0 pt-20 -69.95 -23.69 63.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.431 -1.418 . . . . 0.0 109.296 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 m -59.95 -42.01 93.14 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.877 0.846 . . . . 0.0 109.167 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -76.89 -27.6 55.05 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -65.78 -52.7 48.66 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.348 -1.47 . . . . 0.0 109.629 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -31.23 69.75 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.125 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -68.17 -56.71 7.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.754 -1.216 . . . . 0.0 110.316 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -47.71 -39.7 18.3 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.305 -1.497 . . . . 0.0 108.957 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.42 -40.02 81.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 O-C-N 121.419 -0.801 . . . . 0.0 111.699 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -77.04 -41.66 41.62 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.014 -1.679 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 15' ' ' PHE . 8.6 m -60.43 -44.77 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 109.074 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.569 ' N ' HG23 ' A' ' 14' ' ' VAL . 6.4 t80 -60.16 -40.4 89.77 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.733 -0.605 . . . . 0.0 109.726 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.25 -36.16 79.24 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.453 -1.404 . . . . 0.0 109.204 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -56.08 -55.72 29.48 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.536 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 3.9 t60 -84.57 -40.05 18.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.801 -1.187 . . . . 0.0 111.29 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 24' ' ' ASP . 7.0 m -60.15 -29.4 68.63 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.354 -0.841 . . . . 0.0 113.026 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.53 9.97 41.83 Favored Glycine 0 N--CA 1.504 3.229 0 O-C-N 120.75 -1.219 . . . . 0.0 112.717 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -115.57 -62.52 1.58 Allowed 'General case' 0 N--CA 1.507 2.39 0 CA-C-N 119.483 1.641 . . . . 0.0 109.062 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.66 77.1 2.04 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.21 -155.39 26.11 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.892 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 54.3 t0 -82.34 153.08 25.97 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.1 mtmp? -57.48 -53.74 54.72 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.134 -0.978 . . . . 0.0 112.499 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.55 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 65.0 t80 -117.71 22.9 12.06 Favored 'General case' 0 N--CA 1.511 2.615 0 O-C-N 120.494 -1.379 . . . . 0.0 112.549 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -133.01 140.01 47.52 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.56 -1.338 . . . . 0.0 108.239 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.512 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.8 tp -93.96 157.72 15.97 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.655 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 71.3 m -130.36 167.97 17.68 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.982 -1.074 . . . . 0.0 109.989 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.551 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 tptt -47.75 -38.76 16.13 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.284 -0.885 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 78.1 tttt -82.15 -30.94 30.76 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.242 -1.536 . . . . 0.0 110.485 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.655 ' HB2' ' H ' ' A' ' 29' ' ' SER . 46.8 mt-10 -70.03 -39.91 75.5 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.533 -1.355 . . . . 0.0 110.481 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.3 pp -65.49 -42.03 92.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.638 ' N ' HD12 ' A' ' 33' ' ' LEU . 52.9 tttm -62.43 -38.66 90.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 112.038 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.536 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 3.5 p30 -80.73 -37.69 30.1 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 111.386 -177.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 42.6 tp -60.17 -49.74 76.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.995 -1.065 . . . . 0.0 109.216 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.7 mp -69.08 -42.55 76.04 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.834 0.826 . . . . 0.0 110.573 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.4 ' NE2' ' OG ' ' A' ' 42' ' ' SER . 51.5 tp60 -69.85 -36.67 75.74 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.518 0.675 . . . . 0.0 110.839 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.6 m -59.91 -50.77 72.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.689 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -97.9 -13.46 21.2 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.95 -1.094 . . . . 0.0 111.571 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 mt -128.76 44.37 2.98 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 38' ' ' GLN . 12.1 t -60.16 -49.61 76.96 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.531 0.681 . . . . 0.0 110.589 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.543 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 80.2 p -79.6 -18.65 51.14 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.758 -0.589 . . . . 0.0 111.96 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.7 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t80 -95.14 -105.15 0.15 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.417 -1.427 . . . . 0.0 111.431 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.7 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -13.54 154.07 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.025 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.436 175.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.628 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 1.7 m-20 -92.51 112.76 24.83 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 124.191 3.178 . . . . 0.0 110.158 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.0 -83.74 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.488 0 O-C-N 120.445 -1.409 . . . . 0.0 109.716 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.599 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 41.2 mm-40 -60.02 -40.06 88.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 111.48 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.543 ' NZ ' ' O ' ' A' ' 43' ' ' SER . 45.3 mtmt -67.3 -19.9 65.54 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -144.67 90.89 2.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.55 77.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.07 -34.03 71.49 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.82 83.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.255 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -36.72 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.496 -1.378 . . . . 0.0 108.41 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.551 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 96.2 m-20 -67.87 -40.55 83.59 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.349 -0.844 . . . . 0.0 111.81 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HD3' ' HZ3' ' X' ' 9' ' ' LYS . 97.6 mttt -70.01 -39.95 75.54 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.953 -1.092 . . . . 0.0 110.35 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.429 HD11 ' CG ' ' X' ' 8' ' ' ASN . 70.3 mt -67.67 -54.36 23.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-O 121.979 0.895 . . . . 0.0 110.559 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ASP . 18.4 ttt -60.07 -37.21 79.23 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.687 -0.633 . . . . 0.0 109.907 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -59.89 -45.71 91.65 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -58.35 -24.69 60.55 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.6 mt -95.09 -21.24 18.68 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' MET . 85.3 m-20 -73.12 43.54 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.2 mm-40 -60.35 -40.3 90.22 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.694 -0.803 . . . . 0.0 109.778 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.05 35.9 52.71 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 107.496 -2.242 . . . . 0.0 107.496 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -92.68 -9.07 42.15 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.48 -1.012 . . . . 0.0 111.609 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.13 12.49 75.87 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -133.39 174.29 10.56 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.51 129.39 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 120.813 -1.179 . . . . 0.0 109.397 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 41.3 t0 -98.79 152.75 19.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.034 -1.041 . . . . 0.0 109.144 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.533 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 11.2 t80 -50.38 -19.98 0.98 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.52 -0.737 . . . . 0.0 109.042 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 mp0 -77.88 -24.5 48.46 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.883 -1.135 . . . . 0.0 108.349 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 70' ' ' ASP . 80.3 mt-10 -86.98 -49.47 7.32 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.719 0.771 . . . . 0.0 109.987 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 37' ' ' LEU . 9.4 t80 -63.59 -47.24 82.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.739 -0.601 . . . . 0.0 110.671 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.677 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.3 t -59.99 -40.07 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.028 -1.045 . . . . 0.0 109.677 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.8 t -60.7 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.946 -1.096 . . . . 0.0 109.921 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -63.16 -50.39 70.58 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.378 -0.826 . . . . 0.0 112.461 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 82' ' ' THR . 13.3 m -60.0 -39.57 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 120.438 -1.414 . . . . 0.0 109.285 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.701 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.05 -39.16 85.0 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.551 -0.718 . . . . 0.0 109.718 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -79.46 -26.43 41.71 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.5 HD11 ' OD1' ' X' ' 8' ' ' ASN . 84.0 mt -84.5 -47.93 10.1 Favored 'General case' 0 N--CA 1.511 2.607 0 O-C-N 119.332 -2.105 . . . . 0.0 108.911 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.555 HG23 ' N ' ' A' ' 83' ' ' VAL . 8.8 t -47.85 -45.65 30.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.475 -0.766 . . . . 0.0 109.472 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.555 ' N ' HG23 ' A' ' 82' ' ' THR . 15.5 m -60.18 -41.88 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.0 110.467 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.03 -27.12 66.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.89 -45.93 47.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.04 -41.09 91.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.977 . . . . 0.0 110.279 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -59.97 -40.12 88.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.162 -0.961 . . . . 0.0 110.184 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.94 -0.8 57.78 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.128 -0.983 . . . . 0.0 109.397 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.27 -19.59 50.18 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 . . . . . 0 N--CA 1.493 1.691 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.713 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.257 -0.645 . . . . 0.0 109.257 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -60.19 -43.38 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.161 -0.962 . . . . 0.0 111.347 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.03 -41.86 90.35 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.353 -1.467 . . . . 0.0 111.428 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -69.96 -23.45 63.19 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.364 -1.46 . . . . 0.0 109.202 -179.44 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 -42.18 93.55 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 122.015 0.912 . . . . 0.0 109.167 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -76.94 -27.48 54.87 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.6 mmm -65.63 -52.86 48.67 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.447 -1.408 . . . . 0.0 109.691 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.83 -32.03 71.44 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.088 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.71 -56.7 8.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.71 -1.244 . . . . 0.0 110.348 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -47.6 -39.61 17.25 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.249 -1.532 . . . . 0.0 108.968 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.3 mt -68.64 -40.06 81.22 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 O-C-N 121.346 -0.846 . . . . 0.0 111.615 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -76.77 -41.86 43.07 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.008 -1.683 . . . . 0.0 112.087 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.574 HG23 ' N ' ' B' ' 15' ' ' PHE . 10.1 m -60.36 -45.01 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.079 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.574 ' N ' HG23 ' B' ' 14' ' ' VAL . 6.5 t80 -60.05 -40.41 89.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.787 -0.571 . . . . 0.0 109.667 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -61.23 -36.12 79.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.371 -1.455 . . . . 0.0 109.184 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -55.74 -56.15 23.9 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -177.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 3.9 t60 -84.47 -40.14 18.06 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.867 -1.146 . . . . 0.0 111.262 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.467 ' O ' ' O ' ' B' ' 24' ' ' ASP . 6.9 m -60.18 -29.53 68.75 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.3 -0.875 . . . . 0.0 113.052 -178.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.36 10.03 42.49 Favored Glycine 0 N--CA 1.505 3.268 0 O-C-N 120.815 -1.178 . . . . 0.0 112.623 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -115.77 -62.33 1.61 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-N 119.553 1.677 . . . . 0.0 109.023 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -99.82 76.83 1.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.49 -155.22 26.02 Favored Glycine 0 N--CA 1.487 2.091 0 C-N-CA 119.407 -1.378 . . . . 0.0 110.854 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 55.6 t0 -82.53 153.01 25.76 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.78 -0.835 . . . . 0.0 108.78 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.535 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 8.3 mtmp? -57.16 -53.92 52.59 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 112.689 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 65.2 t80 -117.48 22.74 12.22 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 120.407 -1.433 . . . . 0.0 112.456 -177.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -133.0 140.05 47.55 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.144 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.495 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.0 tp -94.04 157.85 15.9 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.659 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 68.6 m -130.57 168.11 17.62 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.927 -1.108 . . . . 0.0 110.015 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.544 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 48.0 tptt -47.76 -38.85 16.39 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.339 -0.85 . . . . 0.0 111.005 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.421 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 79.5 tttt -82.01 -31.13 31.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.151 -1.593 . . . . 0.0 110.436 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.659 ' HB2' ' H ' ' B' ' 29' ' ' SER . 46.8 mt-10 -69.92 -40.02 75.82 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.481 -1.387 . . . . 0.0 110.473 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.642 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.4 pp -65.3 -42.24 93.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.97 -1.081 . . . . 0.0 110.47 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.642 ' N ' HD12 ' B' ' 33' ' ' LEU . 52.5 tttm -62.27 -38.82 90.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 112.049 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 3.4 p30 -80.61 -37.69 30.68 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.028 -1.045 . . . . 0.0 111.347 -177.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 44.5 tp -59.99 -49.75 76.45 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.983 -1.073 . . . . 0.0 109.203 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 4.9 mp -69.23 -42.48 75.62 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.884 0.849 . . . . 0.0 110.582 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.412 ' NE2' ' OG ' ' B' ' 42' ' ' SER . 51.8 tp60 -69.97 -36.58 75.31 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.546 -0.721 . . . . 0.0 110.915 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -59.95 -50.78 72.41 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.492 -175.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -97.76 -13.6 21.3 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.984 -1.073 . . . . 0.0 111.523 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -128.74 44.49 2.95 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.412 ' OG ' ' NE2' ' B' ' 38' ' ' GLN . 13.8 t -60.0 -49.97 75.59 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.599 0.714 . . . . 0.0 110.583 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 83.6 p -79.49 -17.69 53.6 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.66 -0.65 . . . . 0.0 111.935 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' B' ' 45' ' ' LEU . 13.6 t80 -96.42 -92.11 0.22 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.445 -1.409 . . . . 0.0 113.268 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -37.84 160.03 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -176.016 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.535 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 1.0 OUTLIER -91.99 113.02 25.18 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 119.053 -2.279 . . . . 0.0 109.59 178.111 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -144.91 -83.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 120.707 -1.246 . . . . 0.0 109.432 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.602 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 41.5 mm-40 -60.04 -40.08 88.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 0.0 111.534 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 43' ' ' SER . 44.0 mtmt -67.64 -19.75 65.24 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -144.46 90.74 2.12 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.01 76.4 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.9 -34.25 71.46 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.86 86.83 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.972 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -36.26 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.413 -1.429 . . . . 0.0 108.437 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.544 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.5 m-20 -68.33 -40.25 81.66 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.198 -0.939 . . . . 0.0 111.801 -178.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.408 ' HZ3' ' HD2' ' Y' ' 9' ' ' LYS . 95.6 mttt -70.39 -39.97 74.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.854 -1.154 . . . . 0.0 110.185 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.427 HG13 HD22 ' Y' ' 8' ' ' ASN . 81.2 mt -67.44 -54.3 24.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 CA-C-O 121.872 0.844 . . . . 0.0 110.511 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.458 ' O ' ' N ' ' B' ' 62' ' ' ASP . 18.8 ttt -60.02 -37.21 79.08 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.421 0.629 . . . . 0.0 109.98 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -60.08 -45.7 92.03 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -58.88 -22.8 60.02 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' B' ' 63' ' ' GLU . 67.6 mt -96.74 -21.09 17.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.404 -0.81 . . . . 0.0 110.152 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' B' ' 58' ' ' MET . 85.0 m-20 -73.3 43.56 0.13 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.1 mm-40 -60.45 -40.23 90.4 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.661 -0.815 . . . . 0.0 109.735 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -77.94 -19.38 54.72 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.85 35.71 53.99 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -92.43 -9.2 42.42 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.437 -1.037 . . . . 0.0 111.606 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.02 12.72 75.64 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -133.55 174.7 10.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 13.0 t -132.05 129.11 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 120.764 -1.21 . . . . 0.0 109.475 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -98.79 152.58 19.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.991 -1.068 . . . . 0.0 109.064 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 11.0 t80 -50.06 -19.98 0.86 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.531 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.4 mp0 -78.08 -24.23 47.71 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.842 -1.161 . . . . 0.0 108.404 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 70' ' ' ASP . 80.7 mt-10 -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.592 0.711 . . . . 0.0 110.005 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.464 ' CE1' HD11 ' B' ' 37' ' ' LEU . 9.2 t80 -63.67 -47.02 82.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.776 -0.578 . . . . 0.0 110.595 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.701 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.3 t -60.1 -40.01 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.985 -1.072 . . . . 0.0 109.836 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -60.55 -40.76 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.832 -1.167 . . . . 0.0 109.942 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.687 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.1 tm? -63.38 -50.28 70.52 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.223 -0.923 . . . . 0.0 112.53 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.435 ' O ' HG22 ' B' ' 82' ' ' THR . 15.4 m -60.03 -39.49 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.462 -1.399 . . . . 0.0 109.313 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.04 -39.46 86.01 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 121.769 0.795 . . . . 0.0 109.657 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' Y' ' 11' ' ' LEU . . . -79.38 -26.41 41.99 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.588 HD23 HD23 ' Y' ' 11' ' ' LEU . 85.3 mt -84.18 -47.61 10.67 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.365 -2.084 . . . . 0.0 109.012 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.547 HG23 ' N ' ' B' ' 83' ' ' VAL . 8.8 t -48.24 -45.74 34.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.693 -0.63 . . . . 0.0 109.52 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.547 ' N ' HG23 ' B' ' 82' ' ' THR . 14.6 m -60.04 -41.92 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 0.0 110.496 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.474 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -60.1 -26.72 66.43 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.358 -0.839 . . . . 0.0 109.299 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -74.35 -45.78 44.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.08 -40.99 91.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -60.16 -39.97 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.124 -0.985 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.91 -0.82 57.78 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.085 -1.009 . . . . 0.0 109.545 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -79.36 -19.66 49.68 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 . . . . . 0 N--CA 1.492 1.628 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.564 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 p-10 -149.14 9.67 0.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.157 -0.964 . . . . 0.0 109.43 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.591 ' O ' ' N ' ' X' ' 10' ' ' ILE . 8.5 p-90 -69.91 -23.32 63.21 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.212 -1.555 . . . . 0.0 110.105 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' X' ' 7' ' ' TRP . 60.8 t30 -52.97 -32.68 47.44 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 119.421 -2.049 . . . . 0.0 106.197 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' X' ' 12' ' ' SER . 86.3 tttt -63.26 -30.15 71.34 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -42.16 -46.57 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.753 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.547 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 54.9 tp -64.97 -40.17 94.6 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.497 ' N ' ' O ' ' X' ' 9' ' ' LYS . 2.1 t . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.378 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.488 HD13 ' NZ ' ' B' ' 49' ' ' LYS . 41.9 pt . . . . . 0 N--CA 1.496 1.83 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -120.88 9.81 10.74 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.027 -1.045 . . . . 0.0 109.251 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.651 ' O ' HG22 ' Y' ' 10' ' ' ILE . 63.7 t90 -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.165 -0.96 . . . . 0.0 111.414 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.56 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 1.2 t-20 -51.4 -34.13 33.29 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 119.356 -2.09 . . . . 0.0 109.467 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.19 -23.2 54.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.651 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.5 tt -52.39 -40.2 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 177.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.472 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 27.8 tp -76.85 -39.9 49.6 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.562 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' Y' ' 11' ' ' LEU . 2.1 p . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.289 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.52 2.568 . . . . 0.0 119.52 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -83.34 158.24 22.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.237 -1.155 . . . . 0.0 109.782 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -41.62 -57.19 2.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.546 -0.721 . . . . 0.0 110.923 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.14 -42.29 84.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.064 -1.022 . . . . 0.0 110.927 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.06 -38.06 81.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.875 -1.14 . . . . 0.0 109.575 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.3 m -54.27 -48.8 70.81 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.002 0.906 . . . . 0.0 110.167 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -26.74 67.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.8 ttt -71.08 -49.06 48.59 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.38 -1.45 . . . . 0.0 110.482 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.96 -26.85 64.31 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.536 -0.727 . . . . 0.0 110.375 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.69 -56.71 13.62 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.856 -1.152 . . . . 0.0 109.024 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' N ' ' A' ' 11' ' ' LEU . 8.0 mp -59.42 -39.42 83.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.168 -1.582 . . . . 0.0 110.398 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.427 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 73.6 mt -64.16 -39.88 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.426 -1.421 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.47 -41.87 26.55 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.82 -1.8 . . . . 0.0 112.195 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.2 p -61.61 -42.05 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.287 . . . . 0.0 109.483 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.767 ' CE2' HD13 ' A' ' 28' ' ' LEU . 5.9 t80 -60.09 -39.94 87.84 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.611 -0.68 . . . . 0.0 109.561 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 12' ' ' ILE . 29.0 m80 -62.59 -36.24 82.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.543 -1.348 . . . . 0.0 109.984 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.44 31.89 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.143 -0.973 . . . . 0.0 112.907 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -83.16 -40.77 19.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.968 -1.083 . . . . 0.0 112.252 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -61.32 -31.1 70.95 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.07 15.31 56.7 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 120.614 -1.303 . . . . 0.0 113.087 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.8 -57.83 2.18 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 120.07 1.935 . . . . 0.0 110.322 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -101.48 23.21 11.43 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.168 -0.958 . . . . 0.0 111.339 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.23 -166.63 23.46 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 118.393 -1.86 . . . . 0.0 111.943 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -58.73 140.41 54.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.918 -0.754 . . . . 0.0 109.247 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.08 -50.0 59.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.387 -0.82 . . . . 0.0 111.892 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -108.94 19.96 18.99 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.745 -1.222 . . . . 0.0 112.078 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -136.48 144.54 44.4 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.503 -1.373 . . . . 0.0 110.768 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.767 HD13 ' CE2' ' A' ' 15' ' ' PHE . 1.6 tp -92.55 117.62 30.14 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.253 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -77.34 159.93 29.18 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 119.822 -1.799 . . . . 0.0 108.649 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.94 -38.07 2.09 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.13 -0.981 . . . . 0.0 110.543 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -80.31 -27.85 38.36 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.487 -1.383 . . . . 0.0 110.124 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.92 -40.13 72.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.586 -1.321 . . . . 0.0 110.716 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.455 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 2.8 pp -63.79 -44.17 94.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.678 -1.264 . . . . 0.0 109.847 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 72.2 tttt -64.06 -39.77 94.81 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.446 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.13 -39.95 75.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.766 -1.209 . . . . 0.0 110.908 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.07 -47.47 84.56 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.61 -0.681 . . . . 0.0 110.582 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 74' ' ' PHE . 4.1 mm? -69.94 -49.08 55.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.73 . . . . 0.0 112.359 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 12.7 pt20 -65.66 -40.43 92.42 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 96.4 m -48.91 -49.96 37.44 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.199 -0.938 . . . . 0.0 111.427 -174.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.04 -13.03 20.04 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.204 -0.935 . . . . 0.0 110.338 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 mt -132.75 40.8 3.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -60.02 -50.71 72.65 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.726 0.774 . . . . 0.0 110.684 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -81.55 -17.63 47.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.668 -0.645 . . . . 0.0 112.268 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -84.07 -105.86 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.096 -1.627 . . . . 0.0 110.476 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.645 ' O ' ' O ' ' A' ' 44' ' ' PHE . 8.4 mp -16.33 153.5 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.895 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.423 174.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -92.95 108.71 20.21 Favored 'General case' 0 N--CA 1.511 2.608 0 CA-C-N 123.547 2.885 . . . . 0.0 109.013 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.498 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -148.18 -61.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 120.166 -1.584 . . . . 0.0 108.678 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.7 mm100 -70.02 -40.27 75.3 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.015 . . . . 0.0 110.243 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.27 -21.82 62.92 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -139.8 90.51 2.4 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.74 67.27 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.03 -37.39 79.64 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.2 81.36 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.683 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -39.14 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.115 -1.616 . . . . 0.0 107.924 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.65 -39.96 94.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.763 -0.586 . . . . 0.0 111.712 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.65 -40.14 96.1 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.812 -1.18 . . . . 0.0 110.08 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.09 -41.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.633 0.73 . . . . 0.0 110.067 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.588 -0.695 . . . . 0.0 111.374 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 2.9 ptmt -65.52 -36.88 85.15 Favored 'General case' 0 C--N 1.289 -2.048 0 C-N-CA 117.998 -1.481 . . . . 0.0 107.11 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 83.1 tt0 -63.67 -30.27 71.4 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 73' ' ' GLU . 25.1 mt -90.89 -18.65 24.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.497 -0.752 . . . . 0.0 110.542 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 87.0 m-20 -77.96 43.35 0.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.654 -1.279 . . . . 0.0 108.403 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.5 mt-10 -60.09 -40.59 90.13 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.804 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.08 -18.74 57.8 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.19 33.68 58.93 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.108 -1.997 . . . . 0.0 108.108 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.432 ' O ' ' OE2' ' A' ' 68' ' ' GLU . 33.3 p-10 -89.98 -8.99 50.35 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.374 -1.074 . . . . 0.0 111.985 -177.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.98 6.85 88.96 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 66' ' ' ASP . 10.0 mp0 -142.31 169.34 17.76 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.28 125.74 68.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' GLU . 83.9 m-20 -90.79 146.48 23.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.438 ' CE2' ' CG ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -42.65 -32.18 0.55 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.238 -0.914 . . . . 0.0 110.52 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.99 -27.48 64.74 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 109.16 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' ASP . 86.5 mt-10 -82.37 -42.76 18.26 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.936 0.874 . . . . 0.0 109.914 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 37' ' ' LEU . 4.2 t80 -67.82 -49.81 60.23 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.476 -0.765 . . . . 0.0 111.254 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' B' ' 79' ' ' ALA . 5.4 p -59.98 -34.2 55.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.269 -0.895 . . . . 0.0 110.591 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -62.44 -33.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.439 178.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.2 tm? -69.42 -55.01 11.55 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.606 -0.684 . . . . 0.0 112.001 -177.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 79' ' ' ALA . 35.6 m -60.19 -35.39 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 CA-C-O 122.555 1.169 . . . . 0.0 109.42 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -65.6 -39.94 92.1 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.797 0.808 . . . . 0.0 110.199 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.34 57.92 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.071 HD13 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -70.95 -39.97 72.29 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 119.36 -2.088 . . . . 0.0 109.899 -177.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 1.071 ' N ' HD13 ' A' ' 81' ' ' LEU . 2.2 t -60.15 -49.81 76.16 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.779 -1.2 . . . . 0.0 110.97 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 84' ' ' ALA . 13.3 m -60.05 -40.55 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.829 -1.17 . . . . 0.0 109.843 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.442 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.46 -25.79 68.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.561 -0.712 . . . . 0.0 109.12 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.552 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 54.1 t -69.34 -41.36 76.74 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.122 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.74 -40.61 93.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.939 -1.101 . . . . 0.0 108.813 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.42 -39.85 92.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.616 -0.678 . . . . 0.0 109.704 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 64.6 t80 -77.46 -10.42 59.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.483 -0.761 . . . . 0.0 110.006 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 3.5 m-85 -90.85 -20.82 21.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.079 -1.013 . . . . 0.0 109.026 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 . . . . . 0 N--CA 1.494 1.756 0 O-C-N 121.333 -0.855 . . . . 0.0 110.046 -179.292 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 76.0 p . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.309 0.575 . . . . 0.0 109.697 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -41.74 -57.22 2.4 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.506 -0.746 . . . . 0.0 110.926 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.05 -42.08 85.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 110.945 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -59.96 -38.15 81.62 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.928 -1.108 . . . . 0.0 109.602 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -54.48 -48.6 71.62 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 122.003 0.906 . . . . 0.0 110.256 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.04 -26.95 67.75 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.3 ttt -71.13 -48.98 48.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.323 -1.486 . . . . 0.0 110.505 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.561 -0.712 . . . . 0.0 110.457 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -63.7 -56.66 13.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.824 -1.172 . . . . 0.0 109.131 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.487 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.0 mp -59.38 -39.48 83.47 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.185 -1.572 . . . . 0.0 110.507 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.428 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 72.5 mt -64.08 -39.96 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.474 -1.391 . . . . 0.0 112.125 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.44 -41.98 26.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 119.873 -1.767 . . . . 0.0 112.204 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.2 p -61.34 -42.12 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.655 -1.278 . . . . 0.0 109.43 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' B' ' 28' ' ' LEU . 6.1 t80 -60.03 -40.1 88.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.637 -0.665 . . . . 0.0 109.556 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' B' ' 12' ' ' ILE . 29.3 m80 -62.44 -36.54 82.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.672 -1.267 . . . . 0.0 110.03 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.35 -55.51 30.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.198 -0.939 . . . . 0.0 112.902 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -83.02 -40.84 19.41 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.954 -1.091 . . . . 0.0 112.312 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -61.34 -31.01 70.87 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.93 15.19 56.99 Favored Glycine 0 N--CA 1.502 3.076 0 O-C-N 120.517 -1.364 . . . . 0.0 113.139 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.86 -57.58 2.21 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.02 1.91 . . . . 0.0 110.379 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -101.91 23.26 11.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 111.267 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.12 -166.96 23.88 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 118.528 -1.796 . . . . 0.0 111.933 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -58.54 140.49 54.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.9 -0.765 . . . . 0.0 109.308 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -51.35 -49.92 60.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.373 -0.829 . . . . 0.0 111.912 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.82 20.11 18.86 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.789 -1.195 . . . . 0.0 112.101 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -136.68 144.47 43.96 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.525 -1.36 . . . . 0.0 110.655 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' B' ' 15' ' ' PHE . 1.6 tp -92.27 117.76 30.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.307 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -77.47 159.94 29.03 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 119.754 -1.841 . . . . 0.0 108.511 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -43.07 -38.04 2.2 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.25 -0.906 . . . . 0.0 110.451 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -80.16 -27.8 38.94 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.501 -1.374 . . . . 0.0 110.164 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.06 -40.12 71.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.551 -1.343 . . . . 0.0 110.654 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.448 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 2.9 pp -63.8 -44.09 94.35 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.685 -1.259 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.448 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 73.0 tttt -64.01 -39.98 95.32 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.229 -0.989 . . . . 0.0 111.464 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.95 -40.04 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.733 -1.23 . . . . 0.0 111.115 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.94 -47.61 84.13 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.579 -0.701 . . . . 0.0 110.629 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' B' ' 74' ' ' PHE . 4.0 mm? -70.0 -49.02 55.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 112.384 -177.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.3 pt20 -65.54 -40.45 92.91 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 98.5 m -48.87 -49.95 37.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.13 -0.981 . . . . 0.0 111.415 -174.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -99.01 -13.23 19.98 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.234 -0.916 . . . . 0.0 110.304 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 51.9 mt -132.32 40.64 3.29 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.5 t -60.09 -50.76 72.45 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.672 0.748 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -81.59 -16.62 51.02 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.64 -0.663 . . . . 0.0 112.206 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.7 t80 -85.64 -92.37 0.09 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.16 -1.588 . . . . 0.0 112.246 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 44' ' ' PHE . 8.1 mp -39.93 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.56 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.3 t0 -93.06 107.89 19.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.328 -2.107 . . . . 0.0 108.634 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.0 m -148.14 -61.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 120.549 -1.344 . . . . 0.0 108.304 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.8 mm100 -70.11 -40.56 74.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.242 -0.911 . . . . 0.0 110.274 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.488 ' NZ ' HD13 ' Y' ' 5' ' ' ILE . 46.3 mtmt -69.98 -22.1 63.17 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -139.87 90.51 2.39 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.68 67.22 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.94 -37.36 79.31 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.83 85.43 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.361 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.98 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.163 -1.586 . . . . 0.0 108.147 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.71 -40.14 94.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.622 -0.674 . . . . 0.0 111.742 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.52 -40.13 96.24 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.662 -1.274 . . . . 0.0 110.133 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.403 ' N ' HD12 ' B' ' 57' ' ' ILE . 1.7 mp -72.08 -41.88 67.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 O-C-N 121.496 -0.752 . . . . 0.0 110.158 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -64.34 -39.93 94.87 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.551 -0.718 . . . . 0.0 111.392 -177.494 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' B' ' 60' ' ' GLU . 3.3 ptmt -65.36 -36.76 84.97 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 118.004 -1.478 . . . . 0.0 107.089 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 78.0 tt0 -64.71 -27.65 69.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.446 HD22 ' O ' ' B' ' 73' ' ' GLU . 24.5 mt -92.99 -18.62 22.48 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 86.5 m-20 -77.98 43.11 0.42 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.778 -1.201 . . . . 0.0 108.396 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.4 mt-10 -60.02 -40.73 90.28 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.582 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -76.85 -18.99 58.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.45 33.52 58.5 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.435 ' O ' ' OE2' ' B' ' 68' ' ' GLU . 32.8 p-10 -89.98 -9.14 49.81 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.417 -1.049 . . . . 0.0 111.987 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.97 7.11 88.8 Favored Glycine 0 N--CA 1.503 3.104 0 N-CA-C 109.666 -1.373 . . . . 0.0 109.666 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 66' ' ' ASP . 9.8 mp0 -142.58 169.3 17.84 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -111.1 125.69 68.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.122 -0.986 . . . . 0.0 109.881 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' B' ' 73' ' ' GLU . 84.5 m-20 -90.72 146.54 23.92 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.433 ' CE2' ' CG ' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -42.58 -32.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 110.582 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.95 -27.56 64.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 119.999 -1.688 . . . . 0.0 109.153 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 70' ' ' ASP . 85.4 mt-10 -82.46 -42.57 18.34 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.843 0.83 . . . . 0.0 109.828 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.414 ' CE1' HD21 ' B' ' 37' ' ' LEU . 4.3 t80 -67.98 -49.67 60.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.452 -0.78 . . . . 0.0 111.262 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.641 HG22 ' HB1' ' A' ' 79' ' ' ALA . 5.5 p -60.03 -34.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.232 -0.917 . . . . 0.0 110.648 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.441 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -62.5 -33.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.503 178.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.715 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -69.6 -54.97 11.43 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.627 -0.671 . . . . 0.0 111.917 -177.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 79' ' ' ALA . 35.7 m -60.17 -35.33 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 122.479 1.133 . . . . 0.0 109.405 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -65.74 -39.94 91.63 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.937 0.875 . . . . 0.0 110.196 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.96 -34.89 57.55 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 1.052 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -71.38 -39.78 71.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 119.254 -2.154 . . . . 0.0 110.045 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 1.052 ' N ' HD13 ' B' ' 81' ' ' LEU . 2.1 t -59.94 -49.84 76.1 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.854 -1.154 . . . . 0.0 110.995 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.445 HG23 ' N ' ' B' ' 84' ' ' ALA . 14.7 m -59.86 -40.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 120.837 -1.164 . . . . 0.0 109.885 177.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.445 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.58 -25.54 68.01 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.467 -0.77 . . . . 0.0 109.164 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 52.7 t -69.07 -41.85 77.0 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.969 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.6 -40.38 91.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.839 -1.163 . . . . 0.0 108.894 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.6 -39.85 92.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.488 0.661 . . . . 0.0 109.735 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.44 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 64.6 t80 -77.53 -10.12 59.31 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.414 -0.804 . . . . 0.0 110.014 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.5 m-85 -91.0 -20.86 21.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.036 -1.04 . . . . 0.0 108.985 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 . . . . . 0 N--CA 1.494 1.768 0 O-C-N 121.348 -0.845 . . . . 0.0 109.995 -179.306 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.521 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.7 pt . . . . . 0 N--CA 1.494 1.745 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -110.9 17.56 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 121.972 0.891 . . . . 0.0 109.086 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.661 ' O ' HG22 ' X' ' 10' ' ' ILE . 84.6 t90 -64.3 -53.77 43.67 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.973 -1.079 . . . . 0.0 112.35 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.522 HD22 ' H ' ' A' ' 46' ' ' ASP . 3.6 t-20 -51.9 -31.98 30.61 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.313 -2.117 . . . . 0.0 109.215 -178.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' X' ' 12' ' ' SER . 68.7 mttm -59.99 -22.94 63.21 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.661 HG22 ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -49.87 -38.66 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 44.2 tp -75.66 -33.15 60.42 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 176.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.559 ' N ' ' O ' ' X' ' 9' ' ' LYS . 28.0 t . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.051 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.097 0 N-CA-C 109.249 -0.649 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -139.11 11.46 2.6 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.686 ' O ' HG22 ' Y' ' 10' ' ' ILE . 38.8 t90 -58.29 -43.22 87.97 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.643 -0.661 . . . . 0.0 109.744 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -52.75 -30.37 32.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.854 -1.779 . . . . 0.0 107.189 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -56.13 -28.13 56.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.686 HG22 ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -50.56 -36.99 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 47.5 tp -64.73 -40.03 94.63 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.867 -179.577 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.712 0 N-CA-C 119.879 2.711 . . . . 0.0 119.879 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 m -81.04 154.73 26.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.031 -1.276 . . . . 0.0 109.172 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -46.57 -53.89 10.5 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.437 -0.79 . . . . 0.0 110.514 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.401 HD11 HG11 ' B' ' 78' ' ' VAL . 56.6 tp -66.94 -41.31 87.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.173 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -63.13 -40.34 97.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.333 -0.854 . . . . 0.0 109.468 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 10' ' ' THR . 30.0 m -48.07 -44.6 31.59 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.111 0.957 . . . . 0.0 109.394 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.39 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.036 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.7 ttt -69.84 -52.46 24.79 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.597 -1.314 . . . . 0.0 111.196 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -67.02 -29.61 69.48 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.141 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -60.56 -55.94 27.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 0.0 110.376 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 11' ' ' LEU . 8.4 mp -58.74 -35.91 73.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.7 -1.875 . . . . 0.0 110.255 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.87 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 120.754 -1.216 . . . . 0.0 112.598 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.28 -39.53 25.1 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 119.639 -1.913 . . . . 0.0 112.038 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.6 p -60.0 -42.55 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.479 -1.388 . . . . 0.0 108.794 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.507 ' N ' HG13 ' A' ' 14' ' ' VAL . 19.2 t80 -61.71 -40.09 93.83 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.283 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -61.63 -38.44 87.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.597 -1.315 . . . . 0.0 110.67 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.06 -55.74 30.84 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -80.08 -43.45 21.75 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.474 ' O ' ' O ' ' A' ' 24' ' ' ASP . 42.5 t -54.92 -28.21 49.17 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.78 11.21 25.32 Favored Glycine 0 N--CA 1.507 3.367 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.492 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 23' ' ' GLY . 66.9 mttm -123.18 -74.77 0.61 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 118.986 1.393 . . . . 0.0 108.512 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.32 21.05 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.245 -0.91 . . . . 0.0 111.095 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 179.81 -165.06 33.35 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 118.441 -1.838 . . . . 0.0 111.953 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.474 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.4 m-20 -45.35 153.26 0.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.844 0.831 . . . . 0.0 110.608 -179.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -52.22 -54.12 35.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.541 -0.724 . . . . 0.0 112.248 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -131.62 32.61 4.12 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.788 -1.195 . . . . 0.0 111.775 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -133.36 141.91 48.15 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.774 -1.204 . . . . 0.0 108.365 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -99.02 111.65 23.99 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.792 0.806 . . . . 0.0 110.248 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' LYS . 64.0 m -81.33 162.09 23.57 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.064 -1.647 . . . . 0.0 108.882 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' SER . 52.0 tttt -44.89 -30.75 1.05 Allowed 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -82.89 -29.56 29.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.619 -1.301 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.93 -42.14 73.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.801 -1.187 . . . . 0.0 109.745 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 34' ' ' LYS . 2.3 pp -62.99 -45.73 91.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.006 -1.059 . . . . 0.0 110.236 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.652 ' N ' HD12 ' A' ' 33' ' ' LEU . 75.9 tttt -62.06 -39.66 93.16 Favored 'General case' 0 C--O 1.197 -1.697 0 O-C-N 121.017 -1.052 . . . . 0.0 111.805 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.403 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 57.1 t0 -72.45 -39.54 67.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.806 -1.184 . . . . 0.0 110.502 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.432 HD11 HG22 ' A' ' 14' ' ' VAL . 63.0 tp -61.15 -50.72 72.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 110.467 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 2.8 mm? -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.003 0.906 . . . . 0.0 110.525 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.529 ' NE2' ' NE2' ' A' ' 48' ' ' GLN . 43.9 tt0 -65.81 -40.86 92.28 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.489 -0.757 . . . . 0.0 112.553 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.403 ' OG1' ' OD1' ' A' ' 35' ' ' ASP . 92.8 m -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.984 -1.073 . . . . 0.0 112.53 -174.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -94.5 -12.84 26.87 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.64 -1.287 . . . . 0.0 110.444 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.486 HD13 HD13 ' A' ' 45' ' ' LEU . 70.8 mt -131.85 34.09 3.9 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.52 ' CA ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -50.92 -59.55 4.02 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 p -75.68 -21.49 57.58 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.615 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.8 t80 -83.24 -104.22 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 O-C-N 119.974 -1.704 . . . . 0.0 110.798 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' A' ' 44' ' ' PHE . 7.1 mp -14.86 147.09 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.77 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.496 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.522 ' H ' HD22 ' X' ' 8' ' ' ASN . 44.5 t0 -91.23 104.16 16.75 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-N 124.912 3.505 . . . . 0.0 108.89 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 1.1 m -140.86 -44.83 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 120.637 -1.29 . . . . 0.0 109.44 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.529 ' NE2' ' NE2' ' A' ' 38' ' ' GLN . 48.2 mt-30 -78.32 -59.27 2.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.687 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 1.6 mptp? -49.74 -59.53 3.73 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.348 -0.845 . . . . 0.0 108.977 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 53' ' ' ALA . 97.0 m-20 -98.68 84.55 3.16 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 108.965 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.5 -26.37 12.86 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.13 -37.92 86.98 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.14 -38.61 80.09 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.091 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.52 -35.74 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.576 -1.327 . . . . 0.0 108.867 178.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.14 -39.96 86.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.174 -0.954 . . . . 0.0 110.766 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.925 -1.11 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.8 mt -67.65 -53.16 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' ASP . 24.6 ttt -60.04 -36.77 78.0 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.498 -0.751 . . . . 0.0 109.075 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.23 -48.86 80.03 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' OE2' ' C ' ' X' ' 12' ' ' SER . 96.0 mt-10 -60.23 -24.28 64.73 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.4 mt -91.57 -22.03 20.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.772 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.4 m-20 -74.49 44.46 0.21 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -60.32 -42.06 94.81 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.08 -19.32 58.67 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.88 34.92 51.88 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 107.443 -2.263 . . . . 0.0 107.443 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 32.4 p-10 -91.87 -8.98 44.96 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.647 -0.913 . . . . 0.0 111.644 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.94 88.13 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -136.2 176.6 8.55 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 t -125.95 127.72 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.761 -1.212 . . . . 0.0 108.697 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.2 t0 -95.97 152.96 18.04 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.502 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 32.0 t80 -48.96 -24.74 1.61 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.664 -0.648 . . . . 0.0 110.078 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 76' ' ' VAL . 79.1 mt-30 -74.48 -26.35 59.96 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.852 -1.155 . . . . 0.0 108.661 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ASP . 82.6 mt-10 -85.67 -45.52 11.61 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 109.958 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.32 -50.38 71.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.126 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.738 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.9 t -61.1 -38.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 72' ' ' GLN . 46.8 t -59.87 -39.75 80.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 120.817 -1.177 . . . . 0.0 108.721 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -63.22 -53.48 52.36 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 t -55.64 -38.07 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.848 -1.158 . . . . 0.0 109.204 -178.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.76 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -64.84 -37.92 89.25 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.389 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.44 -33.31 48.58 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.026 HD13 ' H ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -77.12 -39.33 49.79 Favored 'General case' 0 N--CA 1.515 2.783 0 O-C-N 118.835 -2.416 . . . . 0.0 109.37 -179.436 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 1.026 ' H ' HD13 ' A' ' 81' ' ' LEU . 3.2 t -59.73 -43.14 94.33 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.238 -0.914 . . . . 0.0 110.835 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 8.6 m -59.93 -41.86 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.88 -28.17 69.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.0 t -67.92 -42.07 81.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.8 -40.62 88.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 108.756 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.39 -34.71 77.25 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.635 -0.666 . . . . 0.0 109.308 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 59.0 t80 -79.62 -9.46 59.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.392 -0.818 . . . . 0.0 110.195 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -94.21 -23.94 17.69 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.942 -1.099 . . . . 0.0 109.735 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 t90 . . . . . 0 N--CA 1.496 1.846 0 O-C-N 121.218 -0.926 . . . . 0.0 109.747 -179.904 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m . . . . . 0 N--CA 1.487 1.407 0 CA-C-O 121.5 0.667 . . . . 0.0 109.599 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -46.17 -55.14 7.48 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.497 -0.752 . . . . 0.0 110.377 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.425 HD11 HG11 ' A' ' 78' ' ' VAL . 56.4 tp -65.55 -42.0 92.37 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.238 -0.914 . . . . 0.0 109.067 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.04 -40.22 97.06 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.293 -0.88 . . . . 0.0 109.368 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.441 ' O ' ' OG1' ' B' ' 10' ' ' THR . 31.0 m -47.87 -44.52 29.39 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.223 1.011 . . . . 0.0 109.364 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.32 69.12 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.256 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ttt -69.98 -51.91 28.59 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.654 -1.279 . . . . 0.0 111.06 -177.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.29 -2.006 0 O-C-N 121.55 -0.718 . . . . 0.0 110.169 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -60.37 -56.19 24.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 110.487 -179.227 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.475 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.6 mp -57.78 -36.5 72.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 119.84 -1.788 . . . . 0.0 110.303 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.58 -39.6 84.28 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 120.97 -1.081 . . . . 0.0 112.688 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.12 -39.69 22.95 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.744 -1.847 . . . . 0.0 112.276 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.512 HG13 ' N ' ' B' ' 15' ' ' PHE . 10.7 p -59.97 -42.32 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.687 -1.258 . . . . 0.0 108.607 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.512 ' N ' HG13 ' B' ' 14' ' ' VAL . 27.1 t80 -61.94 -39.87 93.56 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -61.53 -39.12 89.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.738 -1.227 . . . . 0.0 110.442 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.93 -55.46 34.35 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -80.15 -43.19 22.06 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.022 -1.049 . . . . 0.0 111.515 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.479 ' O ' ' O ' ' B' ' 24' ' ' ASP . 34.6 t -55.06 -28.69 54.17 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.69 11.62 25.44 Favored Glycine 0 N--CA 1.506 3.311 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.329 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' B' ' 23' ' ' GLY . 67.0 mttm -123.26 -74.65 0.61 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.896 1.348 . . . . 0.0 108.534 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.54 20.41 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.064 -1.023 . . . . 0.0 110.947 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -178.84 -164.02 30.95 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 118.317 -1.896 . . . . 0.0 112.106 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.479 ' O ' ' O ' ' B' ' 19' ' ' SER . 96.0 m-20 -45.89 152.61 0.35 Allowed 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.605 0.717 . . . . 0.0 110.689 -179.337 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -51.81 -54.18 31.71 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.476 -0.765 . . . . 0.0 111.91 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -131.13 31.44 4.42 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 120.759 -1.213 . . . . 0.0 112.206 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -132.3 142.12 49.24 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.892 -1.13 . . . . 0.0 108.305 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 tp -99.26 111.4 23.79 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.829 0.823 . . . . 0.0 109.942 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' LYS . 68.5 m -81.07 161.86 23.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.066 -1.646 . . . . 0.0 108.691 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 55.1 tttt -45.32 -30.13 1.21 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.823 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -82.79 -29.45 29.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.486 -1.383 . . . . 0.0 109.469 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.92 -41.66 74.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.815 -1.178 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.65 HD12 ' N ' ' B' ' 34' ' ' LYS . 2.4 pp -63.54 -45.36 90.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.172 -0.955 . . . . 0.0 110.036 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.65 ' N ' HD12 ' B' ' 33' ' ' LEU . 78.2 tttt -62.51 -39.78 94.62 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 120.851 -1.156 . . . . 0.0 111.782 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.421 ' OD1' ' OG1' ' B' ' 39' ' ' THR . 57.0 t0 -72.05 -38.99 69.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.95 -1.094 . . . . 0.0 110.63 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.417 HD11 HG22 ' B' ' 14' ' ' VAL . 62.8 tp -61.82 -51.76 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.713 0.768 . . . . 0.0 110.348 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.7 mm? -70.18 -40.02 74.92 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.893 0.854 . . . . 0.0 110.385 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.509 ' O ' ' CA ' ' B' ' 42' ' ' SER . 45.0 tt0 -66.86 -40.65 87.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.506 -0.746 . . . . 0.0 112.527 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.421 ' OG1' ' OD1' ' B' ' 35' ' ' ASP . 92.0 m -59.42 -50.53 73.6 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.945 -1.097 . . . . 0.0 112.746 -174.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -94.36 -13.58 26.23 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.618 -1.301 . . . . 0.0 110.503 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.439 HD13 HD13 ' B' ' 45' ' ' LEU . 68.1 mt -131.33 34.44 3.98 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.509 ' CA ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -51.21 -58.55 5.86 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.571 0.701 . . . . 0.0 110.648 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -76.59 -19.94 57.32 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' B' ' 44' ' ' PHE . 1.8 t80 -85.25 -90.81 0.1 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.125 -1.609 . . . . 0.0 112.419 -177.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.439 HD13 HD13 ' B' ' 41' ' ' LEU . 6.1 mp -38.6 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 41.5 t0 -90.82 102.82 15.58 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 123.01 2.641 . . . . 0.0 108.522 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 1.4 m -139.88 -44.57 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.842 -1.161 . . . . 0.0 109.213 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.492 ' NE2' ' NE2' ' B' ' 38' ' ' GLN . 46.0 mt-30 -79.07 -59.87 2.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.255 -0.903 . . . . 0.0 109.732 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.1 mptp? -49.63 -59.56 3.67 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.379 -0.826 . . . . 0.0 108.852 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -98.09 86.54 3.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.942 . . . . 0.0 108.952 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.9 -26.95 27.51 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.22 -38.95 88.46 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -58.21 -40.02 80.51 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.978 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.481 HG22 HD11 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.93 -35.43 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.341 -1.474 . . . . 0.0 108.962 179.268 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 94.4 m-20 -67.25 -39.8 86.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.25 -0.906 . . . . 0.0 110.965 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.85 -39.62 76.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.826 -1.171 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.0 mt -68.29 -53.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 110.394 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.469 ' O ' ' N ' ' B' ' 62' ' ' ASP . 24.4 ttt -60.07 -36.59 77.71 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -58.9 -48.99 79.48 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.9 -22.67 64.55 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.26 -0.9 . . . . 0.0 108.696 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' B' ' 63' ' ' GLU . 28.0 mt -92.38 -23.01 19.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.464 -0.772 . . . . 0.0 109.516 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -73.55 43.35 0.14 Allowed 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -59.89 -41.83 92.48 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -75.89 -19.73 58.6 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.47 35.4 52.1 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -91.42 -9.53 44.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.561 -0.964 . . . . 0.0 111.546 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.16 7.47 88.44 Favored Glycine 0 N--CA 1.497 2.717 0 N-CA-C 109.954 -1.259 . . . . 0.0 109.954 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -136.85 176.67 8.49 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -126.09 127.5 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 108.855 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 43.6 t0 -96.05 152.81 18.19 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.867 0.841 . . . . 0.0 108.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.519 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 29.5 t80 -48.71 -25.08 1.62 Allowed 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.573 -0.705 . . . . 0.0 110.258 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 76' ' ' VAL . 78.2 mt-30 -75.2 -25.03 57.9 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.761 -1.212 . . . . 0.0 108.54 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.3 mt-10 -86.17 -46.02 10.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.011 0.91 . . . . 0.0 109.727 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.41 -51.19 69.76 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.141 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.76 HG12 ' HB1' ' A' ' 79' ' ' ALA . 56.0 t -60.56 -38.12 77.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.289 -0.882 . . . . 0.0 110.012 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.4 t -60.17 -39.44 80.59 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.821 -1.174 . . . . 0.0 109.184 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.69 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -63.37 -54.03 43.29 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.244 -0.91 . . . . 0.0 112.395 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.519 ' O ' HG22 ' B' ' 82' ' ' THR . 1.5 t -54.9 -39.03 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.948 -1.095 . . . . 0.0 109.499 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.738 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -64.38 -38.66 91.8 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.071 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.19 -34.0 56.26 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 1.018 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -76.89 -38.88 52.76 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.811 -2.43 . . . . 0.0 109.743 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 1.018 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.4 t -60.07 -42.0 93.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.469 -0.769 . . . . 0.0 110.85 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 12.8 m -60.78 -42.19 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.425 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.43 -29.11 70.17 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.76 -41.55 87.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.558 -0.714 . . . . 0.0 109.763 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.24 -40.38 90.06 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.187 -0.946 . . . . 0.0 108.833 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.0 -34.77 78.27 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.642 0.734 . . . . 0.0 109.299 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 56.8 t80 -79.08 -10.06 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.368 -0.832 . . . . 0.0 110.294 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -93.8 -24.33 17.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.951 -1.093 . . . . 0.0 109.75 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 t90 . . . . . 0 N--CA 1.495 1.791 0 O-C-N 121.15 -0.969 . . . . 0.0 109.735 -179.569 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' X' ' 7' ' ' TRP . 43.2 pt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 120.661 0.267 . . . . 0.0 111.539 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 4.7 p-10 41.99 17.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.115 -0.99 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.61 ' O ' HG22 ' X' ' 10' ' ' ILE . 31.9 t90 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.566 -1.334 . . . . 0.0 109.98 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.822 ' ND2' HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -51.26 -29.88 16.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.458 -1.402 . . . . 0.0 108.629 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.433 ' O ' ' OXT' ' X' ' 12' ' ' SER . 73.6 tttt -60.0 -30.23 69.0 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.61 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.4 tt -49.01 -38.44 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 30.9 tp -67.84 -42.02 82.06 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.296 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.433 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 8.9 t . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.5 2.072 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -139.76 18.54 2.5 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.7 ' O ' HG22 ' Y' ' 10' ' ' ILE . 2.0 p-90 -60.49 -43.51 96.92 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.269 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 19.8 t30 -51.37 -39.69 57.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 119.726 -1.859 . . . . 0.0 108.894 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -60.2 -22.96 63.61 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.7 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -52.55 -36.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.39 -40.07 89.43 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.765 -179.437 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.801 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -74.26 157.19 36.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.249 -1.148 . . . . 0.0 109.379 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -45.48 -51.81 11.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.171 -0.956 . . . . 0.0 110.817 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.7 tt -68.73 -40.21 80.0 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.914 -1.116 . . . . 0.0 108.957 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.18 -39.32 86.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -0.977 . . . . 0.0 108.999 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 10' ' ' THR . 79.2 m -56.29 -49.52 74.03 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.89 0.852 . . . . 0.0 110.177 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -28.35 69.25 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.019 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -70.12 -50.09 44.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.676 -1.265 . . . . 0.0 110.364 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.9 -28.29 65.5 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.499 -0.75 . . . . 0.0 110.239 -177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.39 -59.85 4.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.997 -1.064 . . . . 0.0 108.942 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -47.19 -39.46 13.97 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.328 -1.483 . . . . 0.0 109.289 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -69.14 -24.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.229 -0.919 . . . . 0.0 110.406 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 10' ' ' THR . 95.5 m-20 -79.58 -54.21 6.11 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.003 -1.061 . . . . 0.0 112.588 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.2 p -65.87 -46.49 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.546 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.8 t80 -60.62 -40.15 90.82 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 121.352 -0.842 . . . . 0.0 109.835 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.576 -1.327 . . . . 0.0 109.722 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.01 -56.8 17.39 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.32 -40.18 64.68 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.926 -1.109 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.467 ' O ' ' O ' ' A' ' 24' ' ' ASP . 26.2 p -67.67 -22.89 65.27 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.33 0.93 40.27 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.694 -1.254 . . . . 0.0 112.359 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.579 ' C ' ' H ' ' A' ' 23' ' ' GLY . 56.1 mtmt -124.4 -67.0 0.94 Allowed 'General case' 0 N--CA 1.502 2.125 0 CA-C-N 119.052 1.426 . . . . 0.0 109.407 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.2 17.73 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.116 -0.99 . . . . 0.0 109.96 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.579 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 178.39 -172.73 45.18 Favored Glycine 0 N--CA 1.487 2.07 0 C-N-CA 119.081 -1.533 . . . . 0.0 111.449 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 39.8 t0 -38.78 154.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 69.8 mttt -59.95 -48.12 83.01 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 113.052 -176.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -122.71 29.75 6.73 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 120.289 -1.507 . . . . 0.0 111.939 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -139.64 147.96 41.77 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.625 -1.297 . . . . 0.0 110.153 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 15' ' ' PHE . 3.4 tp -92.85 153.98 18.51 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.846 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.598 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.8 t -128.38 156.21 43.49 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' SER . 23.4 tptm -43.17 -35.45 1.38 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.669 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -83.29 -27.2 29.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.083 -1.636 . . . . 0.0 110.697 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.598 ' HB2' ' H ' ' A' ' 29' ' ' SER . 52.4 mt-10 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.828 -1.17 . . . . 0.0 110.059 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -62.09 -43.26 99.22 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.775 -1.203 . . . . 0.0 108.837 178.464 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HZ3' ' HB3' ' A' ' 48' ' ' GLN . 5.2 tmtt? -57.65 -45.1 85.93 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.93 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -76.53 -28.88 56.51 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.905 -1.122 . . . . 0.0 110.922 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD11 HG22 ' A' ' 14' ' ' VAL . 57.6 tp -62.26 -50.11 73.01 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.774 -1.203 . . . . 0.0 110.141 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 37' ' ' LEU . 10.8 mp -77.45 -40.64 42.57 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.162 0.982 . . . . 0.0 111.864 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -67.74 -40.0 84.18 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 122.042 0.925 . . . . 0.0 110.072 -177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.5 m -60.38 -49.96 75.5 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.271 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -101.58 -21.25 14.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.201 -0.937 . . . . 0.0 111.972 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.64 HD13 HD23 ' A' ' 45' ' ' LEU . 89.5 mt -133.62 64.16 1.61 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.864 -1.148 . . . . 0.0 110.44 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 p -74.21 -42.56 59.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.282 -0.886 . . . . 0.0 109.911 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 59.5 p -70.76 -41.58 71.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.3 -0.875 . . . . 0.0 112.016 -178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.598 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 t80 -88.18 -107.47 0.07 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.555 -1.341 . . . . 0.0 111.09 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.64 HD23 HD13 ' A' ' 41' ' ' LEU . 3.2 mm? -7.13 128.49 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.542 0 CA-C-O 114.834 -2.508 . . . . 0.0 108.853 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 1.3 m-20 -91.3 118.73 30.75 Favored 'General case' 0 N--CA 1.517 2.919 1 CA-C-N 128.002 4.91 . . . . 0.0 110.051 178.239 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.475 HG23 ' N ' ' A' ' 48' ' ' GLN . 10.7 m -146.37 -41.2 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.315 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.506 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 17.2 pt20 -98.39 -40.33 8.35 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.049 -1.032 . . . . 0.0 111.433 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' A' ' 43' ' ' SER . 51.7 mtmt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.227 -0.921 . . . . 0.0 109.245 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -139.72 86.67 2.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.602 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -30.06 39.44 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -40.1 88.21 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.12 -41.22 96.32 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 118.806 -1.157 . . . . 0.0 109.598 -178.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -36.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.862 -1.149 . . . . 0.0 109.209 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -68.83 -40.02 79.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.023 -1.048 . . . . 0.0 111.272 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.95 -40.12 91.06 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.471 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.7 -53.52 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.562 -0.711 . . . . 0.0 111.274 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.97 81.76 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 110.964 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.9 90.65 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -65.5 -26.92 68.12 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.5 mt -85.27 -33.1 22.23 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.372 -0.83 . . . . 0.0 109.567 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -69.96 57.88 0.15 Allowed 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' LEU . 45.7 mt-10 -60.13 -39.72 87.28 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -70.41 -23.79 62.81 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.79 40.97 7.41 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 33.3 p-10 -99.02 -122.08 0.14 Allowed 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.635 1.217 . . . . 0.0 108.167 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -157.16 21.48 0.43 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -136.22 176.56 8.58 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.78 137.54 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.528 -1.358 . . . . 0.0 108.917 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 34.3 t0 -97.6 167.99 10.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.364 -0.835 . . . . 0.0 109.734 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.607 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.2 t80 -59.94 -35.48 75.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.595 -0.69 . . . . 0.0 109.414 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.532 ' HA ' HG11 ' B' ' 83' ' ' VAL . 62.8 tt0 -70.04 -24.22 63.23 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.861 -1.15 . . . . 0.0 109.904 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.499 ' O ' HD22 ' A' ' 61' ' ' LEU . 49.1 mt-10 -83.59 -53.63 5.52 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.552 -0.718 . . . . 0.0 110.574 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -32.47 65.98 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.191 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.9 t -60.04 -39.7 81.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 120.98 -1.075 . . . . 0.0 108.558 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -59.79 -40.08 81.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.412 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.713 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.2 tm? -62.49 -50.03 73.05 Favored 'General case' 0 N--CA 1.509 2.485 0 O-C-N 121.507 -0.746 . . . . 0.0 112.862 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 m -59.95 -32.92 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 120.176 -1.578 . . . . 0.0 109.853 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.89 -39.34 79.79 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.766 0.793 . . . . 0.0 110.022 178.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.49 -23.92 56.84 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.243 -0.91 . . . . 0.0 112.767 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.822 HD11 ' ND2' ' X' ' 8' ' ' ASN . 1.0 OUTLIER -84.41 -41.56 16.55 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 119.812 -1.805 . . . . 0.0 109.977 -179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 83' ' ' VAL . 1.7 t -52.91 -47.18 68.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.756 -1.215 . . . . 0.0 109.178 178.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.539 HG12 ' CD2' ' B' ' 71' ' ' PHE . 13.8 m -59.89 -40.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.208 -0.933 . . . . 0.0 110.051 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' CZ2' ' X' ' 7' ' ' TRP . . . -60.23 -25.57 65.74 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -69.94 -38.83 76.3 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 108.945 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.567 ' ND2' ' CE2' ' B' ' 71' ' ' PHE . 66.4 m-20 -59.93 -36.3 76.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -59.99 -38.93 84.01 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.65 36.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.348 -0.845 . . . . 0.0 109.224 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 62.2 t80 -79.53 -10.96 59.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.938 -1.101 . . . . 0.0 109.193 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 . . . . . 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.946 . . . . 0.0 108.475 179.939 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -45.86 -51.57 12.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.531 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.7 tt -68.74 -40.03 80.05 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.898 -1.126 . . . . 0.0 109.066 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.16 -39.35 86.08 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.095 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 10' ' ' THR . 82.9 m -56.24 -49.45 74.13 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.804 0.811 . . . . 0.0 110.166 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.2 69.13 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.135 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.33 -50.23 41.29 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.661 -1.274 . . . . 0.0 110.498 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.84 -28.52 65.75 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.15 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -62.05 -59.99 4.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.996 -1.065 . . . . 0.0 109.076 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' B' ' 10' ' ' THR . 9.1 mp -47.09 -39.71 13.77 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.185 -1.572 . . . . 0.0 109.295 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.97 -24.87 28.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.193 -0.942 . . . . 0.0 110.497 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 10' ' ' THR . 95.4 m-20 -79.63 -54.1 6.21 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.971 -1.08 . . . . 0.0 112.575 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.551 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.1 p -65.78 -46.54 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.411 -0.806 . . . . 0.0 110.914 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.551 ' N ' HG13 ' B' ' 14' ' ' VAL . 1.6 t80 -60.69 -40.1 90.92 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.418 -0.801 . . . . 0.0 109.94 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.18 -39.65 87.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.478 -1.389 . . . . 0.0 109.672 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.0 14.76 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.13 -40.56 64.82 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.889 -1.132 . . . . 0.0 110.783 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.462 ' O ' ' O ' ' B' ' 24' ' ' ASP . 32.0 p -67.21 -22.96 65.69 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.31 0.91 40.33 Favored Glycine 0 N--CA 1.506 3.347 0 O-C-N 120.773 -1.204 . . . . 0.0 112.38 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.566 ' C ' ' H ' ' B' ' 23' ' ' GLY . 55.6 mtmt -124.41 -67.0 0.94 Allowed 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 119.087 1.444 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.96 17.25 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.119 -0.988 . . . . 0.0 109.919 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 178.73 -172.54 44.85 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.153 -1.499 . . . . 0.0 111.459 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 40.0 t0 -38.99 154.5 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.271 0.558 . . . . 0.0 109.733 -179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.537 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 69.5 mttt -59.9 -48.11 83.04 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 113.037 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.59 29.53 6.86 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.226 -1.546 . . . . 0.0 112.078 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -139.4 147.48 41.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.593 -1.317 . . . . 0.0 110.184 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.2 tp -92.31 154.0 18.86 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.86 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.597 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.2 t -128.44 156.19 43.59 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -43.11 -35.43 1.33 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.063 -1.023 . . . . 0.0 111.767 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -83.06 -27.57 30.17 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.109 -1.619 . . . . 0.0 110.727 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.597 ' HB2' ' H ' ' B' ' 29' ' ' SER . 53.0 mt-10 -70.87 -40.35 72.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.736 -1.228 . . . . 0.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -62.34 -42.92 99.78 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.712 -1.243 . . . . 0.0 108.939 178.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.522 ' HZ3' ' HB3' ' B' ' 48' ' ' GLN . 4.1 tmtt? -57.32 -45.51 84.16 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.862 -176.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.1 m-20 -76.42 -28.93 56.82 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.922 -1.111 . . . . 0.0 110.98 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.27 -49.97 73.56 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.813 -1.18 . . . . 0.0 110.141 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.526 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.9 mp -77.6 -40.65 41.36 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.114 0.959 . . . . 0.0 111.822 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -67.69 -40.02 84.39 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 122.179 0.99 . . . . 0.0 110.083 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 73.9 m -60.53 -49.86 75.86 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.684 -0.806 . . . . 0.0 111.253 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -101.55 -21.03 14.83 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.132 -0.98 . . . . 0.0 111.983 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.616 HD13 HD23 ' B' ' 45' ' ' LEU . 88.4 mt -133.76 63.95 1.62 Allowed 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.786 -1.196 . . . . 0.0 110.454 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.5 p -74.04 -42.4 60.32 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.204 -0.935 . . . . 0.0 109.937 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.3 p -71.23 -40.62 70.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.117 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.5 t80 -89.4 -94.5 0.11 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.796 -1.19 . . . . 0.0 112.232 -178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.616 HD23 HD13 ' B' ' 41' ' ' LEU . 2.5 mm? -29.84 136.17 0.04 OUTLIER 'General case' 0 N--CA 1.52 3.038 0 CA-C-O 116.898 -1.525 . . . . 0.0 107.615 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 2.7 m-20 -91.24 117.68 29.84 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 124.894 3.497 . . . . 0.0 109.661 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 48' ' ' GLN . 11.1 m -146.87 -40.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.104 -0.997 . . . . 0.0 110.149 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.522 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 17.2 pt20 -98.46 -40.23 8.37 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.02 -1.05 . . . . 0.0 111.432 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -62.18 -27.41 68.95 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 109.197 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -139.7 86.79 2.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -29.94 38.96 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.97 -39.85 87.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.86 -42.81 98.6 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 118.866 -1.134 . . . . 0.0 109.121 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -36.01 64.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 120.761 -1.212 . . . . 0.0 109.384 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -68.84 -40.03 79.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.876 -1.14 . . . . 0.0 111.257 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -66.02 -39.99 90.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.929 -1.107 . . . . 0.0 110.536 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.405 HG12 HD21 ' Y' ' 8' ' ' ASN . 1.6 mp -70.95 -53.39 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.6 -0.688 . . . . 0.0 111.098 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.905 -1.122 . . . . 0.0 111.051 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.67 90.3 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -66.58 -24.49 66.35 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 63' ' ' GLU . 49.4 mt -87.15 -33.18 19.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -69.91 57.73 0.15 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' B' ' 61' ' ' LEU . 45.4 mt-10 -59.8 -40.01 86.89 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -70.29 -24.02 62.96 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.07 40.87 7.32 Favored Glycine 0 N--CA 1.482 1.756 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' B' ' 67' ' ' GLY . 33.5 p-10 -99.06 -122.46 0.15 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 118.603 1.202 . . . . 0.0 108.21 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 66' ' ' ASP . . . -156.74 21.64 0.46 Allowed Glycine 0 N--CA 1.498 2.82 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.24 176.53 8.61 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.46 137.85 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.489 -1.382 . . . . 0.0 108.964 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 33.7 t0 -97.86 167.92 10.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 109.68 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.614 ' O ' HG23 ' B' ' 75' ' ' VAL . 43.3 t80 -59.97 -35.42 74.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.478 -0.764 . . . . 0.0 109.452 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.524 ' HA ' HG11 ' A' ' 83' ' ' VAL . 62.9 tt0 -70.07 -24.19 63.2 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.941 -1.099 . . . . 0.0 109.854 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.503 ' O ' HD22 ' B' ' 61' ' ' LEU . 49.2 mt-10 -83.68 -53.83 5.36 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.503 -0.748 . . . . 0.0 110.396 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -32.4 66.01 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.091 -1.005 . . . . 0.0 111.187 -178.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 71' ' ' PHE . 54.3 t -59.79 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 121.042 -1.036 . . . . 0.0 108.445 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.0 t -59.8 -39.9 81.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 C-N-CA 119.041 -1.063 . . . . 0.0 108.403 178.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.712 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -62.42 -50.11 72.79 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 121.481 -0.762 . . . . 0.0 112.937 -178.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.0 -33.1 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.231 -1.543 . . . . 0.0 109.779 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -69.0 -39.3 79.41 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.719 0.771 . . . . 0.0 110.056 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -75.29 -23.83 57.43 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 112.653 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.595 ' CD2' HD13 ' B' ' 45' ' ' LEU . 1.0 OUTLIER -85.04 -41.19 16.01 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 119.838 -1.789 . . . . 0.0 109.839 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.412 HG23 ' N ' ' B' ' 83' ' ' VAL . 1.7 t -52.93 -46.98 68.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.644 -1.285 . . . . 0.0 109.161 178.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 71' ' ' PHE . 13.4 m -60.05 -40.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.163 -0.96 . . . . 0.0 110.234 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.518 ' HB3' ' CZ3' ' Y' ' 7' ' ' TRP . . . -60.28 -25.54 65.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 108.922 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.37 -38.52 74.76 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.659 -0.817 . . . . 0.0 108.963 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' A' ' 71' ' ' PHE . 66.4 m-20 -59.77 -36.21 76.21 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.01 -38.88 83.96 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.52 36.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.509 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 63.8 t80 -79.67 -10.97 59.87 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.946 -1.096 . . . . 0.0 109.125 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 . . . . . 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 108.466 179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.557 ' O ' HG23 ' X' ' 5' ' ' ILE . 14.6 tt . . . . . 0 N--CA 1.497 1.898 0 CA-C-O 122.027 0.918 . . . . 0.0 108.65 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -90.71 1.03 57.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.589 -1.32 . . . . 0.0 108.415 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.673 ' O ' HG22 ' X' ' 10' ' ' ILE . 62.5 t90 -59.93 -50.05 75.27 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.574 -0.704 . . . . 0.0 110.357 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' X' ' 5' ' ' ILE . 6.6 p30 -51.29 -37.31 46.71 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.017 -1.677 . . . . 0.0 108.73 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' X' ' 12' ' ' SER . 50.7 tttp -59.06 -24.2 62.68 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.673 HG22 ' O ' ' X' ' 7' ' ' TRP . 10.0 tt -51.12 -35.52 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 tp -66.96 -40.03 87.4 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.43 ' N ' ' O ' ' X' ' 9' ' ' LYS . 6.4 t . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 118.132 -0.937 . . . . 0.0 109.338 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.505 HG23 ' O ' ' Y' ' 5' ' ' ILE . 8.1 tt . . . . . 0 N--CA 1.496 1.847 0 CA-C-O 121.309 0.576 . . . . 0.0 109.449 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -129.09 4.14 5.28 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.678 ' O ' HG22 ' Y' ' 10' ' ' ILE . 65.9 t90 -59.95 -50.0 75.45 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.138 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -51.1 -38.01 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 119.917 -1.739 . . . . 0.0 108.647 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -58.19 -23.21 54.71 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.678 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -53.47 -38.79 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 30.2 tp -62.09 -43.43 98.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.501 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.555 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.815 0 N-CA-C 119.481 2.552 . . . . 0.0 119.481 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -65.05 32.72 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.18 -1.188 . . . . 0.0 110.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 1' ' ' GLY . 81.3 mt-10 -59.93 -43.55 94.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.963 -1.086 . . . . 0.0 109.927 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.98 -46.24 90.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.839 -1.163 . . . . 0.0 108.994 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.64 -39.78 92.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.161 -0.962 . . . . 0.0 109.921 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -54.27 -41.67 69.09 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.025 0.917 . . . . 0.0 109.386 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.97 68.78 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.7 mmm -77.3 -44.33 30.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.265 -1.522 . . . . 0.0 110.104 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -72.31 -29.98 64.35 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.381 -0.824 . . . . 0.0 110.797 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.5 t -70.29 -54.64 11.81 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.753 -1.217 . . . . 0.0 109.604 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -44.37 -39.77 4.89 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.312 -1.493 . . . . 0.0 107.754 177.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -62.65 -38.56 81.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.222 -0.924 . . . . 0.0 109.14 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' THR . 28.2 m120 -67.7 -54.13 21.98 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.973 -1.079 . . . . 0.0 112.663 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 15' ' ' PHE . 6.1 m -60.7 -49.6 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.776 -1.202 . . . . 0.0 110.611 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.617 ' N ' HG23 ' A' ' 14' ' ' VAL . 16.5 m-85 -60.92 -40.03 91.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.25 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 120.397 -1.44 . . . . 0.0 109.823 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -55.13 37.98 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.52 -41.31 21.87 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.812 -1.18 . . . . 0.0 111.668 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' ASP . 54.0 p -60.05 -29.53 68.6 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.01 9.4 43.23 Favored Glycine 0 N--CA 1.506 3.361 0 O-C-N 120.628 -1.295 . . . . 0.0 111.886 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 23' ' ' GLY . 96.3 mttt -122.29 -71.5 0.73 Allowed 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 118.799 1.3 . . . . 0.0 109.841 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -70.61 34.15 0.04 OUTLIER 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.855 -1.153 . . . . 0.0 109.536 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 168.45 -171.05 42.51 Favored Glycine 0 N--CA 1.488 2.102 0 C-N-CA 119.509 -1.329 . . . . 0.0 110.799 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 58.5 t0 -39.76 149.26 0.06 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 122.21 -0.582 . . . . 0.0 109.873 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 24.1 pttm -59.26 -38.71 80.76 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 77.3 t80 -134.56 34.29 3.22 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.004 -1.685 . . . . 0.0 111.097 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -142.31 147.94 37.19 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.389 1.09 . . . . 0.0 108.819 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.93 153.82 18.55 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.546 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 16.3 t -129.79 161.82 29.85 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' SER . 53.0 tptt -45.19 -35.29 3.17 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -85.1 -28.03 25.87 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.147 -1.595 . . . . 0.0 111.5 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.5 mt-10 -71.62 -39.94 70.12 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.251 -1.53 . . . . 0.0 110.401 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.0 pp -63.37 -45.79 89.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.999 -1.063 . . . . 0.0 109.942 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.611 ' N ' HD12 ' A' ' 33' ' ' LEU . 55.8 tttt -60.43 -40.05 89.68 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 59.5 t0 -76.47 -36.8 57.67 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.195 . . . . 0.0 111.809 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.88 -47.76 84.43 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 120.982 -1.073 . . . . 0.0 111.046 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 74' ' ' PHE . 82.0 mt -75.78 -40.63 54.85 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' A' ' 39' ' ' THR . 4.6 pp0? -66.05 -39.61 90.27 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.079 0.943 . . . . 0.0 111.885 -176.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 94.3 m -53.45 -44.23 68.71 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.6 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -102.25 -21.32 14.37 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.391 -0.818 . . . . 0.0 111.079 -178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.07 67.31 1.5 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.906 -1.121 . . . . 0.0 109.902 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -79.99 -24.27 40.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.182 -0.949 . . . . 0.0 110.025 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -85.05 -28.84 25.4 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.082 -1.011 . . . . 0.0 112.508 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.567 ' O ' ' C ' ' A' ' 45' ' ' LEU . 21.6 t80 -109.92 -110.14 0.33 Allowed 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.806 -1.184 . . . . 0.0 112.615 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -4.16 120.46 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.118 0 CA-C-O 115.374 -2.251 . . . . 0.0 109.973 177.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.698 ' O ' HG13 ' A' ' 47' ' ' VAL . 33.9 p-10 -75.67 141.18 42.8 Favored 'General case' 0 N--CA 1.51 2.539 1 CA-C-N 127.94 4.882 . . . . 0.0 112.759 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 46' ' ' ASP . 2.6 m -166.85 -53.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 49' ' ' LYS . 96.6 mt-30 -100.37 -71.43 0.7 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.836 -1.165 . . . . 0.0 113.096 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.535 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -31.83 -60.06 0.26 Allowed 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.114 -177.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -99.97 94.62 6.38 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.2 81.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.293 -0.879 . . . . 0.0 109.468 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -59.38 -37.61 78.4 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.69 97.72 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.39 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -34.7 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.493 -1.38 . . . . 0.0 108.503 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 56.0 t0 -60.81 -39.94 90.85 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.537 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -69.61 -40.09 76.84 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.044 -1.035 . . . . 0.0 110.93 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.03 -55.72 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.218 -0.927 . . . . 0.0 110.571 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.05 -36.77 78.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.485 -0.759 . . . . 0.0 109.463 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -60.06 -46.1 90.65 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.02 -23.11 63.43 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 63' ' ' GLU . 47.1 mt -92.55 -26.74 17.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 70.2 m-20 -74.92 49.98 0.44 Allowed 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 61' ' ' LEU . 41.1 mt-10 -60.06 -40.77 90.62 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.429 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -74.52 -23.31 58.8 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.79 40.45 14.73 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.886 -2.085 . . . . 0.0 107.886 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -98.73 -7.96 26.84 Favored 'General case' 0 N--CA 1.512 2.626 0 O-C-N 121.495 -1.003 . . . . 0.0 111.924 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.12 7.42 88.47 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 120.883 -1.136 . . . . 0.0 110.473 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -133.55 176.26 8.7 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.13 135.04 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.489 -1.382 . . . . 0.0 108.591 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -95.97 167.22 11.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.969 . . . . 0.0 109.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.599 ' O ' HG23 ' A' ' 75' ' ' VAL . 39.2 t80 -59.99 -31.28 69.76 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.565 ' HA ' HG11 ' B' ' 83' ' ' VAL . 63.5 tt0 -72.48 -25.21 61.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.862 -1.149 . . . . 0.0 110.312 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.4 ' O ' HD22 ' A' ' 61' ' ' LEU . 76.2 mt-10 -81.04 -52.35 7.5 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.425 -0.797 . . . . 0.0 110.205 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.654 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -75.07 -32.38 61.47 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.714 -178.111 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.736 HG12 ' HB1' ' B' ' 79' ' ' ALA . 43.6 t -57.96 -39.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 72' ' ' GLN . 67.2 t -59.98 -40.01 81.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.28 -0.887 . . . . 0.0 109.119 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.2 tm? -62.51 -54.12 44.69 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.269 -0.895 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -51.42 -34.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.299 -1.501 . . . . 0.0 108.993 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.719 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -65.36 -39.12 91.92 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.722 0.772 . . . . 0.0 109.433 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.73 -30.52 51.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.547 HD12 HD11 ' A' ' 77' ' ' LEU . 55.2 mt -78.28 -43.04 29.17 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 119.244 -2.16 . . . . 0.0 110.625 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.563 HG23 ' N ' ' A' ' 83' ' ' VAL . 6.9 t -58.46 -43.27 88.82 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.055 -1.028 . . . . 0.0 110.99 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.563 ' N ' HG23 ' A' ' 82' ' ' THR . 11.5 m -59.7 -40.1 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.065 -1.022 . . . . 0.0 109.1 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -62.61 -25.7 68.23 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.91 -42.94 47.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.387 -0.821 . . . . 0.0 110.632 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.96 -46.74 88.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.141 -0.974 . . . . 0.0 110.096 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.12 -0.988 . . . . 0.0 109.754 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.527 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 67.2 t80 -86.43 -2.64 58.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.387 -0.821 . . . . 0.0 109.791 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -85.24 -29.49 24.6 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 95.6 m95 . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.283 -0.886 . . . . 0.0 110.485 -178.834 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p . . . . . 0 N--CA 1.492 1.673 0 CA-C-O 120.974 0.416 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 81.7 mt-10 -60.04 -43.34 95.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.009 -1.057 . . . . 0.0 109.95 179.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.08 -46.34 89.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.919 -1.113 . . . . 0.0 108.933 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.55 -39.86 92.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.113 -0.992 . . . . 0.0 109.959 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -54.22 -41.66 68.93 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.097 0.951 . . . . 0.0 109.361 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.44 -29.6 68.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.5 mmm -77.67 -44.11 29.13 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.253 -1.529 . . . . 0.0 110.13 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.55 -29.95 64.01 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.346 -0.846 . . . . 0.0 110.665 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.5 t -70.17 -54.7 11.73 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.812 -1.18 . . . . 0.0 109.643 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.2 mp -44.43 -39.66 4.9 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.529 -1.357 . . . . 0.0 107.692 177.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.81 -38.34 81.53 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 109.124 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 10' ' ' THR . 28.1 m120 -67.82 -54.1 21.7 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.039 -1.038 . . . . 0.0 112.678 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.616 HG23 ' N ' ' B' ' 15' ' ' PHE . 6.9 m -60.66 -49.55 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.788 -1.195 . . . . 0.0 110.656 -178.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.616 ' N ' HG23 ' B' ' 14' ' ' VAL . 16.8 m-85 -60.91 -40.07 91.75 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.314 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -40.01 87.63 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.382 -1.448 . . . . 0.0 109.845 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -55.05 38.75 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -81.46 -41.37 21.89 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.859 -1.151 . . . . 0.0 111.612 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 24' ' ' ASP . 54.0 p -60.04 -29.62 68.64 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.08 9.58 43.11 Favored Glycine 0 N--CA 1.505 3.242 0 O-C-N 120.516 -1.365 . . . . 0.0 111.878 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' B' ' 23' ' ' GLY . 96.2 mttt -122.42 -71.57 0.72 Allowed 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 118.761 1.28 . . . . 0.0 109.804 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -70.49 34.05 0.04 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.799 -1.188 . . . . 0.0 109.638 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 168.64 -170.91 42.54 Favored Glycine 0 N--CA 1.488 2.107 0 C-N-CA 119.575 -1.298 . . . . 0.0 110.781 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 58.0 t0 -39.78 149.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 122.156 -0.614 . . . . 0.0 109.808 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 24.7 pttm -59.46 -38.81 81.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 76.5 t80 -134.18 34.06 3.33 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.026 -1.671 . . . . 0.0 111.13 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -142.31 147.75 36.88 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 122.366 1.079 . . . . 0.0 108.868 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.94 153.84 18.53 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.565 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.1 t -129.95 161.87 29.91 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -45.1 -35.34 3.04 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -85.1 -27.97 25.91 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.099 -1.626 . . . . 0.0 111.374 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.565 ' HB2' ' H ' ' B' ' 29' ' ' SER . 48.9 mt-10 -71.6 -39.95 70.15 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.166 -1.584 . . . . 0.0 110.377 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.595 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.9 pp -63.43 -45.72 89.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.934 -1.104 . . . . 0.0 109.979 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.595 ' N ' HD12 ' B' ' 33' ' ' LEU . 55.2 tttt -60.46 -39.96 89.47 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 59.5 t0 -76.66 -36.72 57.17 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.855 -1.153 . . . . 0.0 111.821 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.05 -47.63 85.08 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 120.849 -1.157 . . . . 0.0 111.013 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' B' ' 74' ' ' PHE . 80.5 mt -75.85 -40.69 54.25 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -177.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' B' ' 39' ' ' THR . 4.6 pp0? -65.9 -39.64 90.8 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.103 0.954 . . . . 0.0 111.846 -176.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.5 m -53.6 -44.22 69.23 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.507 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 1' ' ' GLY . 93.0 mt-10 -102.15 -21.36 14.42 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.389 -0.819 . . . . 0.0 111.051 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 mt -135.02 67.1 1.51 Allowed 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.929 -1.107 . . . . 0.0 109.925 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -79.95 -24.25 41.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.268 -0.895 . . . . 0.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 71.1 m -85.21 -28.86 25.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.982 -1.074 . . . . 0.0 112.471 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.576 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.6 t80 -109.91 -95.91 0.41 Allowed 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.542 HD23 HD13 ' B' ' 37' ' ' LEU . 0.9 OUTLIER -28.9 128.74 0.08 Allowed 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 117.123 -1.417 . . . . 0.0 109.317 -174.534 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.676 ' O ' HG13 ' B' ' 47' ' ' VAL . 33.7 p-10 -76.04 139.59 41.51 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 124.965 3.53 . . . . 0.0 112.444 -177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 46' ' ' ASP . 2.4 m -166.23 -52.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' B' ' 49' ' ' LYS . 96.6 mt-30 -100.33 -71.64 0.7 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.52 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -31.75 -60.24 0.25 Allowed 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.645 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -99.76 94.62 6.43 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -38.37 82.51 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.229 -0.919 . . . . 0.0 109.442 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.43 -37.63 78.58 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.36 93.13 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.129 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -34.79 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.525 -1.359 . . . . 0.0 108.575 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 55' ' ' ASP . 56.5 t0 -60.74 -39.89 90.37 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 121.036 -1.04 . . . . 0.0 109.644 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -69.45 -40.13 77.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 110.975 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.0 -55.71 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.255 -0.903 . . . . 0.0 110.648 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.97 -36.8 77.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.49 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -59.99 -46.62 88.86 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.99 -21.43 61.26 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' B' ' 63' ' ' GLU . 49.1 mt -94.36 -26.57 16.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.71 -0.619 . . . . 0.0 110.252 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 71.1 m-20 -75.09 49.92 0.46 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' LEU . 41.2 mt-10 -60.05 -40.84 90.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.428 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.47 -23.37 58.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.85 40.48 14.49 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.918 -2.073 . . . . 0.0 107.918 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -98.76 -8.08 26.56 Favored 'General case' 0 N--CA 1.511 2.596 0 O-C-N 121.497 -1.002 . . . . 0.0 111.917 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.91 8.11 88.0 Favored Glycine 0 N--CA 1.502 3.042 0 O-C-N 121.008 -1.058 . . . . 0.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -134.11 176.27 8.73 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.18 135.14 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.51 -1.369 . . . . 0.0 108.546 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -95.89 167.2 11.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.596 ' O ' HG23 ' B' ' 75' ' ' VAL . 39.2 t80 -59.98 -31.18 69.66 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.561 ' HA ' HG11 ' A' ' 83' ' ' VAL . 63.6 tt0 -72.7 -25.1 61.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.873 -1.142 . . . . 0.0 110.276 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.416 ' O ' HD22 ' B' ' 61' ' ' LEU . 76.5 mt-10 -81.24 -52.28 7.5 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.373 -0.829 . . . . 0.0 110.157 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' B' ' 37' ' ' LEU . 0.9 OUTLIER -75.04 -32.33 61.53 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.99 -1.084 . . . . 0.0 111.701 -178.164 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.719 HG12 ' HB1' ' A' ' 79' ' ' ALA . 41.9 t -57.95 -39.59 72.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 72' ' ' GLN . 69.8 t -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.136 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.691 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -62.63 -54.08 44.91 Favored 'General case' 0 N--CA 1.511 2.6 0 O-C-N 121.318 -0.863 . . . . 0.0 112.43 -178.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -51.36 -34.08 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 120.271 -1.518 . . . . 0.0 109.032 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.736 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -65.36 -39.55 92.46 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.632 0.729 . . . . 0.0 109.356 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.64 54.09 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.556 HD12 HD11 ' B' ' 77' ' ' LEU . 55.4 mt -78.3 -42.95 29.27 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 119.237 -2.164 . . . . 0.0 110.689 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.567 HG23 ' N ' ' B' ' 83' ' ' VAL . 6.6 t -58.62 -43.3 89.6 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.993 -1.067 . . . . 0.0 110.961 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.567 ' N ' HG23 ' B' ' 82' ' ' THR . 10.7 m -59.59 -39.97 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.086 -1.009 . . . . 0.0 109.204 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.418 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -62.92 -25.59 68.4 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.85 -42.8 48.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.646 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -60.05 -46.76 88.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.059 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.01 -39.99 87.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 67.1 t80 -86.45 -2.73 58.7 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.84 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -85.16 -29.46 24.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.941 . . . . 0.0 109.719 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 95.4 m95 . . . . . 0 N--CA 1.492 1.646 0 O-C-N 121.259 -0.9 . . . . 0.0 110.516 -178.851 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 tt . . . . . 0 N--CA 1.491 1.596 0 CA-C-O 121.941 0.877 . . . . 0.0 110.232 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -129.36 5.84 5.25 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.702 ' O ' HG22 ' X' ' 10' ' ' ILE . 77.0 t90 -60.1 -49.24 78.43 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.128 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' X' ' 7' ' ' TRP . 49.5 t30 -50.02 -35.46 24.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 119.877 -1.765 . . . . 0.0 108.748 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' X' ' 12' ' ' SER . 7.7 ttmm -59.36 -24.18 63.16 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.702 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.8 tt -51.35 -37.66 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 86.1 mt -63.49 -39.36 94.25 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.419 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.4 p . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.544 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.1 pt . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 121.506 0.67 . . . . 0.0 109.747 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -105.72 11.22 32.36 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 122.527 1.156 . . . . 0.0 108.427 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.645 ' O ' HG22 ' Y' ' 10' ' ' ILE . 76.5 t90 -59.93 -48.74 80.47 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.408 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' Y' ' 8' ' ' ASN . 1.5 t-20 -51.29 -30.95 19.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.242 -1.536 . . . . 0.0 108.94 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' Y' ' 12' ' ' SER . 7.2 ttpm? -59.42 -27.04 65.67 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.645 HG22 ' O ' ' Y' ' 7' ' ' TRP . 11.5 tt -51.32 -34.23 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.545 HD13 ' O ' ' Y' ' 11' ' ' LEU . 0.3 OUTLIER -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . 0.523 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 5.7 t . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 117.997 -1.002 . . . . 0.0 109.62 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.955 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -80.06 163.46 24.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.084 -1.245 . . . . 0.0 108.663 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.507 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 42.7 mp0 -56.38 -50.02 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.067 . . . . 0.0 110.002 -177.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.55 -40.29 94.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.045 -1.035 . . . . 0.0 109.036 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -66.37 -35.1 79.47 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.078 -1.014 . . . . 0.0 109.724 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -44.35 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.396 -0.815 . . . . 0.0 110.025 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -70.62 -29.69 66.14 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -69.98 -48.81 56.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.374 -1.454 . . . . 0.0 110.221 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.9 -31.21 68.88 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.687 -0.633 . . . . 0.0 110.553 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -67.42 -56.68 8.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.777 -1.202 . . . . 0.0 110.063 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.2 mp -46.97 -39.3 12.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.277 -1.515 . . . . 0.0 108.59 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.1 -38.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.516 -0.74 . . . . 0.0 110.88 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -78.51 -43.64 26.4 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 119.967 -1.708 . . . . 0.0 112.587 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 15' ' ' PHE . 10.7 m -60.03 -42.92 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.497 -1.377 . . . . 0.0 109.486 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 14' ' ' VAL . 6.2 t80 -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.889 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.06 -39.27 85.44 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.596 -1.315 . . . . 0.0 109.16 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.81 17.4 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 60.9 m80 -75.2 -46.39 34.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.906 -1.121 . . . . 0.0 111.702 -178.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 24' ' ' ASP . 47.2 t -54.05 -27.98 35.79 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.0 10.57 40.52 Favored Glycine 0 N--CA 1.505 3.253 0 O-C-N 120.857 -1.152 . . . . 0.0 110.561 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.8 ttmm -125.07 -78.24 0.6 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -1.123 . . . . 0.0 109.604 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.37 43.36 0.06 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.647 -1.283 . . . . 0.0 109.879 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . 177.79 -144.5 6.6 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.304 -1.427 . . . . 0.0 110.795 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' SER . 96.1 m-20 -83.69 169.01 15.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.641 -0.917 . . . . 0.0 109.015 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -56.89 -48.97 76.94 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 111.983 -177.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.482 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 37.5 t80 -133.39 36.02 3.41 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 120.62 -1.3 . . . . 0.0 111.614 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -135.66 142.49 45.16 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.4 tp -94.58 100.26 12.26 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 32' ' ' GLU . 43.3 t -69.85 157.91 36.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.744 -1.222 . . . . 0.0 110.014 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.88 -36.73 1.6 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -78.4 -23.48 46.74 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.633 -1.292 . . . . 0.0 109.03 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' SER . 7.5 mm-40 -73.37 -42.44 62.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.003 -1.061 . . . . 0.0 110.615 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.4 pp -60.59 -43.07 97.79 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.582 -1.324 . . . . 0.0 108.296 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' HD12 ' A' ' 33' ' ' LEU . 71.8 tttt -63.64 -40.15 96.15 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.435 -177.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.63 -40.54 66.35 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.05 -1.031 . . . . 0.0 111.058 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.423 HD23 ' CE2' ' A' ' 74' ' ' PHE . 57.0 tp -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.517 -0.739 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.466 HD21 ' CE2' ' A' ' 74' ' ' PHE . 92.3 mt -78.04 -43.03 30.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.44 -0.787 . . . . 0.0 113.042 -178.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.49 ' C ' ' H ' ' A' ' 40' ' ' GLU . 9.1 pt20 -69.63 -40.14 76.72 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.287 -0.883 . . . . 0.0 111.741 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 39' ' ' THR . 28.9 m -60.76 11.08 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.753 -0.592 . . . . 0.0 111.811 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 38' ' ' GLN . 82.6 mt-10 -156.83 -47.34 0.07 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.664 -1.273 . . . . 0.0 110.371 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.462 HD13 HD13 ' A' ' 45' ' ' LEU . 24.6 mt -105.03 43.31 1.12 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 85.3 p -60.11 -47.34 86.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.481 0.657 . . . . 0.0 110.697 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.8 m -67.58 -39.87 84.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.335 -0.853 . . . . 0.0 111.455 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 45' ' ' LEU . 12.6 t80 -89.25 -102.36 0.09 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.88 -1.137 . . . . 0.0 112.564 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.583 ' C ' ' O ' ' A' ' 44' ' ' PHE . 4.1 mp -12.19 133.86 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.217 0 CA-C-O 115.377 -2.249 . . . . 0.0 109.312 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -88.89 112.54 23.4 Favored 'General case' 0 N--CA 1.522 3.139 1 CA-C-N 127.137 4.517 . . . . 0.0 110.435 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.7 t -135.8 -84.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.359 -0.838 . . . . 0.0 109.841 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -61.93 -40.11 94.36 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.363 0.601 . . . . 0.0 111.635 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 12.3 mtmm -60.56 -28.84 68.76 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -141.22 93.02 2.53 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.22 68.95 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.93 -39.06 84.21 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.13 91.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.167 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -34.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.481 -1.387 . . . . 0.0 109.198 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.68 -40.1 94.81 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.892 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.79 -40.36 76.06 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.07 -1.019 . . . . 0.0 111.06 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.78 -53.79 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.334 -0.854 . . . . 0.0 109.532 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 ttt -60.06 -34.97 74.16 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.32 95.31 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.94 -27.08 68.89 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.395 -0.815 . . . . 0.0 108.967 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 63' ' ' GLU . 46.9 mt -88.47 -29.68 19.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.15 -0.969 . . . . 0.0 110.106 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -68.86 49.01 0.07 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 61' ' ' LEU . 90.3 mt-10 -60.23 -39.6 87.25 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.12 -20.58 63.17 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.24 32.95 Favored Glycine 0 N--CA 1.48 1.585 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 29.1 p-10 -92.08 -126.15 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 66' ' ' ASP . . . -149.35 16.7 1.14 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -138.87 175.83 9.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.654 -1.497 . . . . 0.0 108.347 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -123.93 134.39 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -98.26 167.2 11.01 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.36 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.559 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 21.9 t80 -59.96 -34.75 73.69 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 109.702 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.5 pt20 -69.46 -23.03 63.6 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.621 -1.299 . . . . 0.0 108.873 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -85.86 -50.33 7.2 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.755 0.788 . . . . 0.0 110.022 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 37' ' ' LEU . 62.3 t80 -60.53 -45.16 94.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.404 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.709 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.0 t -60.64 -40.03 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.033 -1.042 . . . . 0.0 109.393 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 72' ' ' GLN . 49.1 t -59.41 -39.91 80.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.806 -1.184 . . . . 0.0 109.419 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.705 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.3 tm? -66.57 -54.7 20.78 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 121.077 -1.014 . . . . 0.0 112.657 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' HG22 ' A' ' 82' ' ' THR . 21.4 m -55.12 -31.05 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.364 -1.46 . . . . 0.0 109.258 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -71.74 -37.38 70.57 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-O 121.566 0.698 . . . . 0.0 109.712 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.6 -26.79 45.49 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -176.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.057 HD13 ' H ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.85 -39.6 26.24 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.412 -2.055 . . . . 0.0 108.99 179.616 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 1.057 ' H ' HD13 ' A' ' 81' ' ' LEU . 3.0 t -59.66 -43.92 93.75 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.844 -1.16 . . . . 0.0 110.966 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 84' ' ' ALA . 17.9 m -59.99 -44.62 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 120.766 -1.209 . . . . 0.0 110.017 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.485 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -63.04 -26.71 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.522 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 24.7 t -70.38 -38.66 74.74 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.45 -40.56 91.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.409 -0.807 . . . . 0.0 109.083 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.841 . . . . 0.0 110.19 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 58.9 t80 -79.08 -4.58 50.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.292 -0.88 . . . . 0.0 109.766 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 2.9 m-85 -90.68 -1.15 57.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.228 -0.92 . . . . 0.0 109.434 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 33.1 t90 . . . . . 0 C--N 1.304 -1.406 0 O-C-N 120.692 -1.255 . . . . 0.0 108.215 -179.809 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p . . . . . 0 N--CA 1.493 1.676 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 44.2 mp0 -56.19 -50.33 71.53 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.892 -1.13 . . . . 0.0 109.944 -177.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.27 -39.95 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.944 -1.097 . . . . 0.0 108.983 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -66.12 -35.88 81.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 109.555 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.86 -44.0 94.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 110.408 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -70.15 -30.47 67.63 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -70.18 -48.4 57.39 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.398 -1.439 . . . . 0.0 110.24 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.98 -31.08 68.6 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.699 -0.626 . . . . 0.0 110.532 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.68 -56.93 7.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.052 -179.494 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -46.7 -38.77 10.36 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.457 -1.402 . . . . 0.0 108.707 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.2 mt -67.5 -38.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.416 -0.802 . . . . 0.0 111.134 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -78.09 -44.33 26.52 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.158 -1.589 . . . . 0.0 112.38 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.573 HG23 ' N ' ' B' ' 15' ' ' PHE . 10.6 m -59.91 -42.93 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.521 -1.362 . . . . 0.0 109.452 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.573 ' N ' HG23 ' B' ' 14' ' ' VAL . 6.2 t80 -63.54 -40.12 96.17 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.977 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -39.38 85.71 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.6 -1.312 . . . . 0.0 109.173 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.71 18.66 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.445 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 62.3 m80 -75.12 -46.73 32.55 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.727 -1.233 . . . . 0.0 111.573 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.457 ' O ' ' O ' ' B' ' 24' ' ' ASP . 40.8 t -53.5 -28.05 28.84 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.29 10.36 39.46 Favored Glycine 0 N--CA 1.506 3.332 0 O-C-N 120.764 -1.21 . . . . 0.0 110.599 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 23' ' ' GLY . 19.6 ttmm -124.9 -78.35 0.6 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.306 -1.114 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.401 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -70.07 43.06 0.06 Allowed 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.693 -1.254 . . . . 0.0 110.358 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . 177.87 -144.41 6.54 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.457 ' O ' ' O ' ' B' ' 19' ' ' SER . 96.0 m-20 -83.67 169.58 15.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.572 -0.958 . . . . 0.0 108.947 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.96 -49.17 76.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 111.972 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 37.5 t80 -133.27 35.53 3.46 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.516 -1.365 . . . . 0.0 111.62 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -135.44 142.42 45.58 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.8 tp -94.09 99.64 11.9 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.558 ' O ' ' N ' ' B' ' 32' ' ' GLU . 33.7 t -70.03 158.22 36.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.492 -1.38 . . . . 0.0 110.016 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.89 -37.05 1.7 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.374 -0.829 . . . . 0.0 110.012 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -77.98 -23.27 48.45 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 108.936 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' B' ' 29' ' ' SER . 7.3 mm-40 -73.55 -42.27 61.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.022 -1.049 . . . . 0.0 110.644 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.13 -42.07 97.87 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.365 -1.459 . . . . 0.0 108.413 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.31 -40.08 95.19 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.105 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.23 -40.36 67.82 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.209 -0.932 . . . . 0.0 111.17 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' B' ' 74' ' ' PHE . 57.3 tp -63.39 -41.77 98.79 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.583 -0.698 . . . . 0.0 110.605 -178.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.459 HD21 ' CE2' ' B' ' 74' ' ' PHE . 92.6 mt -78.19 -43.26 29.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' B' ' 40' ' ' GLU . 10.8 pt20 -69.68 -40.02 76.62 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 121.987 0.898 . . . . 0.0 111.558 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.613 HG22 ' O ' ' B' ' 39' ' ' THR . 31.8 m -60.7 10.76 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.722 -0.611 . . . . 0.0 111.987 -176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' B' ' 38' ' ' GLN . 82.8 mt-10 -156.61 -47.27 0.07 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.679 -1.263 . . . . 0.0 110.144 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.44 HD13 HD13 ' B' ' 45' ' ' LEU . 24.5 mt -105.2 43.47 1.11 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.522 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 96.6 p -60.14 -46.44 89.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.48 0.657 . . . . 0.0 110.606 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.5 m -68.4 -39.99 81.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.337 -0.852 . . . . 0.0 111.418 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' B' ' 45' ' ' LEU . 14.4 t80 -90.15 -87.98 0.18 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.964 -1.085 . . . . 0.0 113.831 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' B' ' 44' ' ' PHE . 3.5 mp -35.53 141.0 0.09 Allowed 'General case' 0 N--CA 1.514 2.771 0 CA-C-O 117.211 -1.376 . . . . 0.0 107.945 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.7 t0 -88.59 110.88 21.27 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 124.471 3.305 . . . . 0.0 110.02 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 75.0 t -135.48 -83.43 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-O 121.739 0.78 . . . . 0.0 109.891 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -62.26 -40.56 96.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.587 -0.696 . . . . 0.0 111.638 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.2 mtmm -60.36 -28.56 68.28 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -141.63 93.13 2.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.47 -30.88 68.84 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.0 -39.1 84.62 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.14 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.039 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -34.38 56.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 120.247 -1.533 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.63 -40.27 95.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.822 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.78 -40.0 76.31 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.133 -0.979 . . . . 0.0 111.051 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.8 -53.55 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -60.12 -35.39 75.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.358 -0.839 . . . . 0.0 110.455 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -42.94 95.65 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.95 -24.29 67.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 109.398 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' B' ' 63' ' ' GLU . 44.3 mt -91.34 -28.79 17.5 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -69.4 48.83 0.08 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.8 mt-10 -59.94 -39.63 86.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -70.12 -20.21 63.19 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.09 33.12 33.67 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' B' ' 67' ' ' GLY . 29.1 p-10 -92.61 -126.59 0.09 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' B' ' 66' ' ' ASP . . . -148.42 15.64 1.27 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.68 176.47 8.67 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.716 -1.461 . . . . 0.0 108.529 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t -124.35 134.8 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.903 . . . . 0.0 109.03 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.0 t0 -98.59 167.39 10.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.692 0.758 . . . . 0.0 109.623 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.554 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 20.7 t80 -59.8 -35.44 74.68 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.5 -0.75 . . . . 0.0 109.743 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -68.98 -22.75 64.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.595 -1.315 . . . . 0.0 108.853 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -86.11 -50.12 7.25 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.7 0.762 . . . . 0.0 110.097 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.459 ' CE2' HD21 ' B' ' 37' ' ' LEU . 65.1 t80 -60.42 -45.81 92.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.633 . . . . 0.0 111.482 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.709 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.1 t -60.22 -40.1 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.981 -1.074 . . . . 0.0 109.616 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.36 -39.86 80.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.023 -1.048 . . . . 0.0 109.526 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.683 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.4 tm? -66.84 -54.43 22.53 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 112.599 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.422 ' O ' HG22 ' B' ' 82' ' ' THR . 27.4 m -55.28 -30.92 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.284 -1.51 . . . . 0.0 109.435 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -72.27 -36.46 69.02 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-O 121.667 0.746 . . . . 0.0 109.67 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.79 -27.39 44.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 1.028 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -80.7 -39.25 27.44 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.404 -2.06 . . . . 0.0 109.254 179.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 1.028 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.2 t -59.92 -43.39 94.93 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.955 -1.091 . . . . 0.0 110.859 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 84' ' ' ALA . 17.8 m -60.28 -45.05 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.966 -1.084 . . . . 0.0 110.037 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.48 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -62.85 -26.71 68.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.534 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 25.6 t -70.17 -38.73 75.5 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.52 -40.45 91.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.446 -0.784 . . . . 0.0 109.075 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -60.3 -40.26 89.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 110.071 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 62.9 t80 -79.03 -4.58 50.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.334 -0.854 . . . . 0.0 109.881 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.534 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.0 m-85 -90.64 -1.05 57.88 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.418 -0.801 . . . . 0.0 109.48 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 32.2 t90 . . . . . 0 C--N 1.302 -1.48 0 O-C-N 120.833 -1.167 . . . . 0.0 108.164 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.863 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . 0.403 ' H ' HG23 ' X' ' 5' ' ' ILE . 94.5 m-20 41.75 19.19 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.166 -0.959 . . . . 0.0 110.469 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' X' ' 5' ' ' ILE . 30.8 t90 -64.71 -50.06 68.41 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.231 -0.918 . . . . 0.0 110.727 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.479 ' CG ' HD11 ' A' ' 57' ' ' ILE . 20.8 t-20 -50.88 -32.68 21.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.49 -1.381 . . . . 0.0 108.669 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -60.05 -28.39 67.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.55 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.1 tt -51.27 -39.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.42 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 64.0 tp -60.59 -42.68 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.356 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.533 ' CG1' ' O ' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.482 0 CA-C-O 122.503 1.144 . . . . 0.0 108.389 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -100.12 18.09 19.51 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.399 -1.438 . . . . 0.0 108.806 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.608 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.4 t90 -59.97 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.71 -0.619 . . . . 0.0 111.906 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.539 ' CG ' HD11 ' B' ' 57' ' ' ILE . 40.3 t-20 -51.55 -37.23 48.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 119.932 -1.73 . . . . 0.0 108.777 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.38 -25.4 65.85 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.608 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.7 tt -51.32 -39.92 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 57.2 tp -66.11 -42.16 89.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.629 178.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.27 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.268 2.467 . . . . 0.0 119.268 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.411 ' OG ' ' OE1' ' A' ' 5' ' ' GLU . 50.7 m -80.0 156.42 27.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -1.165 . . . . 0.0 109.433 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 4' ' ' LEU . 14.5 pt-20 -44.53 -52.71 7.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.374 -0.829 . . . . 0.0 110.525 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 7.3 mt -70.61 -39.97 73.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.007 -1.058 . . . . 0.0 110.095 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.411 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 44.8 mt-10 -63.67 -30.69 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.09 -1.006 . . . . 0.0 109.228 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -45.68 92.04 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.975 0.893 . . . . 0.0 109.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.05 -29.63 67.81 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.418 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ttt -71.65 -48.66 46.29 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.427 -1.42 . . . . 0.0 110.322 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.96 -34.71 73.76 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.63 -0.669 . . . . 0.0 111.228 -176.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 11' ' ' LEU . 4.1 t -66.55 -55.59 14.76 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.914 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.534 ' N ' HG23 ' A' ' 10' ' ' THR . 6.9 mp -48.66 -41.82 32.63 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.397 -1.44 . . . . 0.0 109.036 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.85 -39.95 87.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.223 -0.923 . . . . 0.0 111.786 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -77.42 -45.07 26.98 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 119.867 -1.77 . . . . 0.0 112.572 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.5 p -60.02 -43.54 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.617 -1.302 . . . . 0.0 110.004 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.661 ' CE2' HD13 ' A' ' 28' ' ' LEU . 5.4 t80 -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.568 -1.333 . . . . 0.0 110.284 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.94 -56.94 11.06 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -83.27 -39.69 20.52 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.05 -1.031 . . . . 0.0 111.418 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 14.9 m -61.6 -33.48 73.97 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.41 12.64 61.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 120.646 -1.284 . . . . 0.0 111.29 -177.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -121.37 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.988 . . . . 0.0 109.161 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -91.74 17.22 9.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.935 -1.103 . . . . 0.0 111.177 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -167.76 -157.05 10.53 Favored Glycine 0 N--CA 1.497 2.738 0 C-N-CA 118.459 -1.829 . . . . 0.0 112.424 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' A' ' 19' ' ' SER . 98.2 m-20 -69.06 143.6 54.21 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.768 0.795 . . . . 0.0 110.924 -178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -50.47 -60.04 3.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 112.286 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -105.42 14.9 28.05 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.973 -1.079 . . . . 0.0 112.591 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -137.16 144.59 43.02 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.683 -1.261 . . . . 0.0 109.197 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.661 HD13 ' CE2' ' A' ' 15' ' ' PHE . 2.4 tp -92.69 170.31 9.82 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.873 0.844 . . . . 0.0 109.99 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.523 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.7 m -131.26 160.81 33.81 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' SER . 6.4 tptp -44.23 -39.84 4.72 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.801 -1.187 . . . . 0.0 111.355 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -78.79 -33.29 46.44 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.037 -1.665 . . . . 0.0 110.891 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' H ' ' A' ' 29' ' ' SER . 85.9 mt-10 -71.65 -39.96 70.01 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.208 -1.558 . . . . 0.0 111.204 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.5 pp -59.29 -45.66 90.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.483 -1.386 . . . . 0.0 108.806 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.684 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.0 tttt -60.01 -39.92 87.47 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.426 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.98 -41.53 92.18 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.042 . . . . 0.0 111.195 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.2 mm? -61.58 -36.14 79.82 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.948 -1.095 . . . . 0.0 110.341 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.8 mp -75.25 -52.09 11.72 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.795 -1.191 . . . . 0.0 111.434 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' A' ' 48' ' ' GLN . 12.9 pt20 -77.48 -18.72 56.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.12 -0.987 . . . . 0.0 113.586 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 40' ' ' GLU . 1.3 t -54.57 -47.2 73.55 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 117.345 -1.742 . . . . 0.0 108.927 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.441 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 75.5 mm-40 -114.77 -38.34 3.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.341 -0.849 . . . . 0.0 111.459 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 45' ' ' LEU . 48.7 mt -93.5 40.36 1.07 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.944 -1.098 . . . . 0.0 109.506 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -60.0 -50.06 75.24 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.594 0.712 . . . . 0.0 110.546 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.8 t -81.02 -23.57 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.565 -0.709 . . . . 0.0 111.772 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.629 ' O ' ' O ' ' A' ' 45' ' ' LEU . 3.5 t80 -84.81 -102.61 0.05 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.341 -1.475 . . . . 0.0 110.579 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.629 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mp -13.61 150.11 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.908 0 CA-C-O 117.446 -1.264 . . . . 0.0 110.715 174.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -95.14 102.16 13.95 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 124.126 3.148 . . . . 0.0 109.601 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -146.1 -56.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 O-C-N 120.164 -1.585 . . . . 0.0 109.013 178.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.474 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 75.7 mm-40 -70.05 -40.47 75.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.958 -1.089 . . . . 0.0 109.97 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.62 -25.11 62.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -135.11 88.42 2.42 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.32 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.97 -38.44 82.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.531 ' O ' HD13 ' A' ' 57' ' ' ILE . . . -55.53 -37.58 68.13 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.142 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -39.96 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.195 -1.566 . . . . 0.0 108.186 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.43 -41.53 98.78 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.974 -1.079 . . . . 0.0 111.98 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.83 -39.98 87.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.401 -1.437 . . . . 0.0 109.895 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 53' ' ' ALA . 1.4 mp -70.0 -53.06 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.422 0.63 . . . . 0.0 111.313 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.1 ttt -60.14 -39.96 88.17 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.061 -1.024 . . . . 0.0 111.515 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.461 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 8.6 mmpt? -60.91 -41.05 95.36 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -24.93 64.83 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 63' ' ' GLU . 25.3 mt -92.27 -25.21 18.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.456 -0.777 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.461 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 86.9 m-20 -72.63 44.83 0.13 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.53 -1.356 . . . . 0.0 107.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.5 mt-10 -59.93 -40.07 87.66 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.12 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.533 HD21 ' CG ' ' A' ' 66' ' ' ASP . 52.3 p30 -77.27 -12.38 59.94 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 70.89 32.41 66.46 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.533 ' CG ' HD21 ' A' ' 64' ' ' ASN . 48.4 p-10 -93.82 -6.58 45.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.194 -1.18 . . . . 0.0 111.563 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.44 14.95 69.96 Favored Glycine 0 N--CA 1.501 2.993 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -136.42 171.9 13.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.7 t -124.21 126.43 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 O-C-N 120.523 -1.36 . . . . 0.0 110.398 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.5 t0 -93.09 150.49 20.48 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -43.25 -39.76 3.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.192 -177.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -61.93 -35.01 77.13 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.317 -1.49 . . . . 0.0 109.365 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 76' ' ' VAL . 53.9 mt-10 -76.55 -43.63 38.26 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.971 0.891 . . . . 0.0 111.02 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -69.76 -45.53 67.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.353 -0.842 . . . . 0.0 111.439 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.667 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -63.36 -30.69 50.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 O-C-N 121.424 -0.798 . . . . 0.0 110.566 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -64.17 -33.61 63.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.3 tm? -70.24 -55.5 9.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.803 -0.561 . . . . 0.0 111.855 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 78' ' ' VAL . 1.3 t -60.03 -44.74 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 122.148 0.975 . . . . 0.0 109.028 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -59.96 -40.51 89.3 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.729 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.8 -24.87 59.88 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -83.22 -49.11 9.77 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 119.846 -1.784 . . . . 0.0 109.706 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 83' ' ' VAL . 2.0 t -48.16 -47.04 35.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.036 -1.04 . . . . 0.0 110.045 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 84' ' ' ALA . 16.8 m -60.08 -41.67 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.976 -1.077 . . . . 0.0 109.762 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.453 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -59.97 -27.3 66.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.441 -0.787 . . . . 0.0 109.091 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.24 -40.97 74.13 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.638 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.06 -40.27 88.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.544 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.33 -40.02 89.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.299 -0.875 . . . . 0.0 110.423 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.01 -7.96 59.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.118 -0.989 . . . . 0.0 109.514 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.2 -20.04 45.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 108.686 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 90' ' ' TRP . 77.7 t90 . . . . . 0 C--N 1.304 -1.392 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.513 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.441 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 50.6 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 4' ' ' LEU . 14.9 pt-20 -44.41 -52.6 7.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 110.605 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.413 ' N ' ' CG ' ' B' ' 3' ' ' GLU . 7.1 mt -70.74 -40.02 72.99 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.928 -1.108 . . . . 0.0 110.117 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . 0.42 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 44.3 mt-10 -63.55 -30.85 71.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.981 -1.075 . . . . 0.0 109.199 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -45.52 92.49 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.968 0.889 . . . . 0.0 109.736 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.44 67.07 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -71.89 -48.29 46.73 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.412 -1.43 . . . . 0.0 110.21 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.03 -34.55 73.4 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.617 -0.677 . . . . 0.0 111.294 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.531 HG23 ' N ' ' B' ' 11' ' ' LEU . 4.1 t -66.74 -55.56 14.45 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.771 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.531 ' N ' HG23 ' B' ' 10' ' ' THR . 6.8 mp -48.78 -41.76 33.54 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.492 -1.38 . . . . 0.0 108.999 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.92 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.132 -0.98 . . . . 0.0 111.806 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -77.58 -44.83 27.12 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 119.987 -1.696 . . . . 0.0 112.536 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.495 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -60.12 -43.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.552 -1.343 . . . . 0.0 109.997 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.636 ' CE2' HD13 ' B' ' 28' ' ' LEU . 5.7 t80 -60.02 -39.98 87.74 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.12 -39.97 88.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.632 -1.293 . . . . 0.0 110.241 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -57.04 10.68 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.09 -40.02 20.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.185 -0.947 . . . . 0.0 111.456 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 15.3 m -61.13 -33.72 73.85 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.61 12.59 61.29 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.545 -1.347 . . . . 0.0 111.345 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -121.04 -62.46 1.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.523 -0.986 . . . . 0.0 109.094 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -91.75 16.71 10.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.005 -1.059 . . . . 0.0 111.204 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.531 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -167.5 -156.89 10.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 118.434 -1.841 . . . . 0.0 112.43 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.462 ' O ' ' O ' ' B' ' 19' ' ' SER . 98.4 m-20 -69.02 143.46 54.32 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.717 0.77 . . . . 0.0 110.997 -178.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -50.51 -60.0 3.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.69 -0.631 . . . . 0.0 112.3 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -105.1 14.51 29.1 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.929 -1.107 . . . . 0.0 112.541 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.22 144.31 42.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.659 -1.276 . . . . 0.0 109.249 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.636 HD13 ' CE2' ' B' ' 15' ' ' PHE . 2.5 tp -92.44 170.38 9.81 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.885 0.85 . . . . 0.0 110.074 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 69.4 m -131.28 160.84 33.75 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -44.26 -39.91 4.82 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 111.327 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -78.73 -33.49 46.65 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.074 -1.641 . . . . 0.0 110.887 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.531 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 85.8 mt-10 -71.35 -40.07 70.91 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.198 -1.564 . . . . 0.0 111.229 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.665 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.5 pp -59.38 -45.5 91.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.494 -1.379 . . . . 0.0 108.837 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.665 ' N ' HD12 ' B' ' 33' ' ' LEU . 79.6 tttt -59.98 -39.86 87.17 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.32 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.01 -41.73 92.76 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 111.168 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' B' ' 36' ' ' LEU . 3.2 mm? -61.53 -35.85 78.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.96 -1.088 . . . . 0.0 110.368 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.8 mp -75.37 -52.23 11.27 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.453 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.475 ' OE1' ' NE2' ' B' ' 48' ' ' GLN . 12.8 pt20 -77.26 -18.33 57.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 113.568 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.409 HG23 ' N ' ' B' ' 40' ' ' GLU . 1.3 t -54.98 -47.2 74.91 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.911 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.409 ' N ' HG23 ' B' ' 39' ' ' THR . 75.5 mm-40 -114.74 -38.19 4.03 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.346 -0.846 . . . . 0.0 111.383 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.479 HD13 HD13 ' B' ' 45' ' ' LEU . 50.2 mt -93.43 40.07 1.06 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.957 -1.09 . . . . 0.0 109.595 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -59.95 -50.09 75.13 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.563 0.697 . . . . 0.0 110.56 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.6 t -81.1 -22.55 39.06 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.452 -0.78 . . . . 0.0 111.647 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 45' ' ' LEU . 3.6 t80 -86.34 -88.48 0.12 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.316 -1.49 . . . . 0.0 112.485 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.479 HD13 HD13 ' B' ' 41' ' ' LEU . 1.2 mp -38.2 157.49 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.9 t0 -95.37 101.78 13.54 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 122.101 2.228 . . . . 0.0 109.223 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -146.23 -55.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 120.39 -1.444 . . . . 0.0 108.595 178.195 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.475 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 76.8 mm-40 -70.14 -40.52 74.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 0.0 110.08 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -70.72 -24.84 62.71 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -135.57 88.38 2.4 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.0 -32.0 65.67 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.97 -38.82 83.64 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HD13 ' B' ' 57' ' ' ILE . . . -54.82 -39.28 68.34 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 118.628 -1.229 . . . . 0.0 108.913 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -39.96 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.102 -1.624 . . . . 0.0 108.292 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.34 -41.82 98.88 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.97 -1.081 . . . . 0.0 111.944 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.75 -39.97 88.1 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.453 -1.405 . . . . 0.0 109.979 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.539 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 1.4 mp -69.89 -53.0 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.768 -0.582 . . . . 0.0 111.277 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.414 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.5 ttt -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.015 -1.053 . . . . 0.0 111.623 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' B' ' 62' ' ' ASP . 8.7 mmpt? -60.94 -41.29 95.95 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.42 -23.05 64.09 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' B' ' 63' ' ' GLU . 24.6 mt -94.02 -25.0 17.4 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.407 -0.808 . . . . 0.0 110.543 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 86.7 m-20 -72.76 44.76 0.13 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.511 -1.368 . . . . 0.0 107.749 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.05 -39.83 87.34 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.089 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.547 HD21 ' CG ' ' B' ' 66' ' ' ASP . 51.7 p30 -77.35 -12.37 59.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 70.7 32.39 67.14 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.547 ' CG ' HD21 ' B' ' 64' ' ' ASN . 48.5 p-10 -93.72 -6.65 45.69 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.303 -1.116 . . . . 0.0 111.485 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.31 70.28 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -136.78 172.27 13.26 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.43 126.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 O-C-N 120.524 -1.36 . . . . 0.0 110.468 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.2 t0 -92.9 150.64 20.45 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.54 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 0.1 OUTLIER -43.43 -39.9 3.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.33 -0.856 . . . . 0.0 110.231 -177.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.85 -34.84 76.7 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.348 -1.47 . . . . 0.0 109.4 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.459 ' O ' HG12 ' B' ' 76' ' ' VAL . 54.1 mt-10 -76.67 -43.74 36.67 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.963 0.887 . . . . 0.0 111.009 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -69.61 -45.33 68.78 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.398 -0.814 . . . . 0.0 111.515 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.643 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.7 p -63.55 -30.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.402 -0.811 . . . . 0.0 110.634 -178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -64.27 -33.7 64.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.708 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.3 tm? -70.19 -55.45 9.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.782 -0.574 . . . . 0.0 111.876 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.453 ' H ' HG23 ' B' ' 78' ' ' VAL . 1.2 t -60.04 -44.76 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-O 122.159 0.98 . . . . 0.0 109.073 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -60.0 -40.48 89.34 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.633 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.88 -24.91 59.79 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.41 -48.32 10.48 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 119.896 -1.752 . . . . 0.0 109.854 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.426 HG23 ' N ' ' B' ' 83' ' ' VAL . 2.0 t -48.7 -47.02 41.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.129 -0.982 . . . . 0.0 109.973 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.451 HG23 ' N ' ' B' ' 84' ' ' ALA . 16.1 m -60.1 -41.72 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.181 -0.949 . . . . 0.0 109.706 177.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.451 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.05 -26.9 66.49 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.444 -0.785 . . . . 0.0 109.128 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.8 -40.65 72.41 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.267 -0.896 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.05 -40.49 89.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.23 -40.08 88.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.39 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -81.89 -8.07 59.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.136 -0.978 . . . . 0.0 109.596 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -79.99 -20.05 46.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.964 . . . . 0.0 108.675 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.415 ' O ' ' CG ' ' B' ' 90' ' ' TRP . 77.8 t90 . . . . . 0 C--N 1.304 -1.395 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 3.2 pt . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -132.56 23.04 4.34 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.173 -0.954 . . . . 0.0 110.452 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.652 ' O ' HG22 ' X' ' 10' ' ' ILE . 5.8 p-90 -60.01 -38.51 82.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.686 -1.259 . . . . 0.0 109.633 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.468 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -51.15 -32.98 24.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.142 -1.599 . . . . 0.0 108.04 179.359 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' X' ' 12' ' ' SER . 85.3 tttt -62.56 -26.59 68.66 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.652 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -50.01 -38.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.411 HD22 HD21 ' A' ' 81' ' ' LEU . 65.5 tp -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.471 ' N ' ' O ' ' X' ' 9' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pt . . . . . 0 N--CA 1.496 1.866 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -137.01 20.77 3.02 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.006 -1.059 . . . . 0.0 110.794 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.605 ' O ' HG22 ' Y' ' 10' ' ' ILE . 4.9 p-90 -61.28 -38.29 86.21 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.758 -1.214 . . . . 0.0 110.208 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.478 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 0.4 OUTLIER -52.49 -35.72 53.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 119.614 -1.929 . . . . 0.0 107.934 179.628 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -24.61 63.64 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.605 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.6 tt -51.0 -39.99 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 60.0 tp -69.16 -40.03 78.43 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.601 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.446 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.867 0 N-CA-C 119.224 2.45 . . . . 0.0 119.224 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -78.86 163.07 25.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -1.157 . . . . 0.0 108.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.645 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -59.99 -46.75 88.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.074 -1.016 . . . . 0.0 110.917 -178.118 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.9 tt -64.16 -40.03 95.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.479 -1.388 . . . . 0.0 109.005 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 86.3 tt0 -59.92 -39.2 84.65 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.6 m -53.21 -40.07 64.21 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.282 1.039 . . . . 0.0 109.946 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -32.44 71.18 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.459 ' SD ' ' C ' ' A' ' 8' ' ' MET . 3.7 ppp? -76.5 -45.24 31.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.15 -1.594 . . . . 0.0 110.036 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.435 ' N ' ' SD ' ' A' ' 8' ' ' MET . 98.3 mt-10 -68.48 -39.21 81.43 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.309 -0.869 . . . . 0.0 110.618 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.18 -55.79 25.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.84 -1.162 . . . . 0.0 110.805 -178.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -48.51 -36.38 15.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.397 -1.439 . . . . 0.0 108.788 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -68.14 -39.93 82.1 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 O-C-N 121.259 -0.9 . . . . 0.0 111.386 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -80.76 -42.25 22.12 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 119.865 -1.772 . . . . 0.0 113.316 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 15' ' ' PHE . 13.3 m -60.0 -41.17 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.35 -1.469 . . . . 0.0 108.922 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.54 ' N ' HG23 ' A' ' 14' ' ' VAL . 3.6 t80 -59.91 -38.37 82.13 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -59.96 -37.87 80.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.579 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.15 -57.28 13.29 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 113.187 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.44 -45.34 39.3 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 120.863 -1.148 . . . . 0.0 111.267 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 24' ' ' ASP . 22.1 p -60.01 -25.44 65.29 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 5.43 50.05 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.66 -1.275 . . . . 0.0 111.857 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -123.74 -67.55 0.92 Allowed 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 118.84 1.32 . . . . 0.0 109.487 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.83 61.85 5.36 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.591 -1.318 . . . . 0.0 108.854 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.41 -148.95 15.89 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.354 -1.403 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.9 m-20 -88.73 165.57 14.64 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.68 -51.55 59.77 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 111.851 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -130.18 32.0 4.56 Favored 'General case' 0 N--CA 1.513 2.713 0 O-C-N 120.64 -1.287 . . . . 0.0 113.066 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.86 140.71 47.03 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.504 -1.373 . . . . 0.0 108.505 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.3 tp -95.59 156.52 16.29 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.572 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.8 p -129.54 164.87 22.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -48.72 -37.49 18.92 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.649 -1.22 . . . . 0.0 112.219 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.53 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 2.2 tmtm? -77.43 -29.78 53.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.083 -1.636 . . . . 0.0 110.301 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.572 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -74.4 -40.94 61.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.65 -1.281 . . . . 0.0 111.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.1 pp -59.99 -45.58 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.646 -1.284 . . . . 0.0 109.117 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.663 ' N ' HD12 ' A' ' 33' ' ' LEU . 75.4 tttt -63.22 -39.41 94.54 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.767 -0.583 . . . . 0.0 111.24 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.53 ' OD2' ' NZ ' ' A' ' 31' ' ' LYS . 97.8 m-20 -69.99 -39.85 75.68 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 110.871 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.01 -39.93 90.68 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.038 0.923 . . . . 0.0 110.613 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 45' ' ' LEU . 6.2 tp -79.04 -52.68 7.89 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.326 0.584 . . . . 0.0 111.984 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.0 pt20 -62.22 -39.96 94.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 122.093 0.949 . . . . 0.0 112.757 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 2.2 t -47.33 -48.95 25.2 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.4 -0.812 . . . . 0.0 110.761 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 39' ' ' THR . 83.3 mt-10 -99.48 -15.16 18.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.241 -0.912 . . . . 0.0 109.887 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -129.89 41.57 3.41 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.2 m -60.08 -50.38 73.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.791 . . . . 0.0 110.159 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -83.76 -19.26 35.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.692 -0.63 . . . . 0.0 112.471 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.642 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.2 t80 -80.54 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 119.843 -1.786 . . . . 0.0 109.923 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.642 ' O ' ' O ' ' A' ' 44' ' ' PHE . 11.2 mp -15.76 151.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.466 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.468 ' H ' ' HB2' ' X' ' 8' ' ' ASN . 44.8 t0 -91.3 104.29 16.84 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 124.428 3.286 . . . . 0.0 109.816 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.435 HG11 HD23 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -142.32 -47.09 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.468 0 O-C-N 120.511 -1.368 . . . . 0.0 109.462 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 81.7 mt-30 -85.81 -12.29 51.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.134 -0.979 . . . . 0.0 110.01 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 2.8 mmtt -92.46 -19.1 22.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.0 m-20 -143.28 93.73 2.53 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -31.32 65.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.93 -38.37 82.17 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.09 85.26 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.64 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -36.51 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.284 -1.51 . . . . 0.0 108.248 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.16 -40.02 96.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.302 -0.874 . . . . 0.0 110.542 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.57 -40.51 84.86 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.225 -0.922 . . . . 0.0 110.429 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.14 -54.03 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.375 -0.828 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.07 -34.34 73.3 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.365 -0.834 . . . . 0.0 109.848 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -59.15 -49.84 76.33 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.955 -1.091 . . . . 0.0 108.599 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.437 ' OE2' ' OG ' ' X' ' 12' ' ' SER . 96.4 mt-10 -59.99 -23.45 63.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 0.0 108.934 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.5 mt -86.67 -28.72 22.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.44 -0.787 . . . . 0.0 109.95 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 12.7 t0 -72.16 50.87 0.22 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 61' ' ' LEU . 95.3 mt-10 -60.04 -41.13 91.58 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.25 -20.02 59.41 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.68 37.54 34.38 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 35.1 p-10 -98.19 -4.58 35.19 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.435 -1.038 . . . . 0.0 111.278 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.561 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 73.78 12.69 80.84 Favored Glycine 0 N--CA 1.503 3.112 0 O-C-N 121.047 -1.033 . . . . 0.0 110.64 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -131.01 174.16 10.28 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.03 129.92 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.779 -1.2 . . . . 0.0 108.924 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 25.9 t0 -96.28 158.88 15.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.093 -1.004 . . . . 0.0 108.757 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.404 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 37.9 t80 -55.08 -27.28 43.78 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 76' ' ' VAL . 62.5 tt0 -74.57 -25.22 59.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 122.127 0.965 . . . . 0.0 108.823 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.45 -48.94 7.97 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.692 0.758 . . . . 0.0 109.802 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.07 -45.59 92.88 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.459 0.647 . . . . 0.0 111.22 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.703 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.7 t -60.03 -39.75 81.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.234 -0.917 . . . . 0.0 109.862 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.4 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.017 -1.052 . . . . 0.0 108.85 178.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.697 HD13 ' C ' ' A' ' 77' ' ' LEU . 2.9 tm? -62.34 -52.44 63.63 Favored 'General case' 0 N--CA 1.51 2.549 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.664 ' O ' HG22 ' A' ' 82' ' ' THR . 11.4 m -58.64 -36.53 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.387 -1.446 . . . . 0.0 109.152 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.717 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -65.55 -39.45 91.72 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-O 121.642 0.734 . . . . 0.0 109.978 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.75 -24.68 58.74 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.425 HD12 HD23 ' A' ' 45' ' ' LEU . 21.9 mt -88.8 -49.18 6.98 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 119.846 -1.784 . . . . 0.0 109.379 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.8 t -45.89 -46.72 16.05 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.653 -1.279 . . . . 0.0 109.814 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.568 HG23 ' N ' ' A' ' 84' ' ' ALA . 27.6 m -59.95 -44.2 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.076 -1.015 . . . . 0.0 110.383 178.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.568 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.17 -25.04 65.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.392 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.09 -34.38 75.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.0 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 0.0 109.133 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.87 -3.7 57.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.061 -1.024 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 58.4 t80 -79.52 -5.11 54.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.184 -0.947 . . . . 0.0 108.877 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.452 -0.78 . . . . 0.0 109.693 -179.7 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p . . . . . 0 N--CA 1.489 1.494 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.633 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.1 pm0 -60.06 -46.71 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.052 . . . . 0.0 110.873 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.01 -40.04 95.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.568 -1.332 . . . . 0.0 109.053 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.96 -39.11 84.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.895 . . . . 0.0 109.177 179.539 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.4 m -53.26 -40.05 64.32 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.321 1.058 . . . . 0.0 110.019 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.38 71.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.7 ppp? -76.47 -45.14 32.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.175 -1.578 . . . . 0.0 110.11 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.44 ' N ' ' SD ' ' B' ' 8' ' ' MET . 98.3 mt-10 -68.64 -39.1 80.9 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.361 -0.837 . . . . 0.0 110.677 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.51 -55.6 25.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.879 -1.138 . . . . 0.0 110.757 -177.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.4 mp -48.5 -36.45 15.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.4 -1.438 . . . . 0.0 108.829 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.03 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.297 -0.877 . . . . 0.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -80.7 -42.36 22.09 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.965 -1.709 . . . . 0.0 113.26 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.552 HG23 ' N ' ' B' ' 15' ' ' PHE . 13.7 m -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.342 -1.474 . . . . 0.0 108.872 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.552 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.2 t80 -59.99 -38.48 82.73 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -60.0 -37.82 80.81 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.716 -1.24 . . . . 0.0 109.607 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -57.15 13.86 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.259 -0.901 . . . . 0.0 113.156 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -75.42 -45.36 39.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.79 -1.194 . . . . 0.0 111.365 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.439 ' O ' ' O ' ' B' ' 24' ' ' ASP . 23.2 p -60.02 -25.48 65.34 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.563 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.93 5.32 50.28 Favored Glycine 0 N--CA 1.502 3.078 0 O-C-N 120.585 -1.322 . . . . 0.0 111.926 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -123.61 -67.62 0.92 Allowed 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 118.92 1.36 . . . . 0.0 109.517 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -81.78 61.86 5.33 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.599 -1.313 . . . . 0.0 108.829 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.51 -148.96 15.86 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.309 -1.424 . . . . 0.0 111.279 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.439 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.8 m-20 -88.81 165.69 14.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.823 -0.81 . . . . 0.0 108.866 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.74 -51.57 59.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 111.872 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -129.99 31.75 4.64 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.576 -1.328 . . . . 0.0 113.106 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.75 140.57 47.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.308 . . . . 0.0 108.431 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.457 HD13 ' CE2' ' B' ' 15' ' ' PHE . 5.3 tp -95.1 156.53 16.28 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.572 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.7 p -129.69 164.84 23.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -48.76 -37.51 19.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.688 -1.257 . . . . 0.0 112.186 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 1.8 tmtm? -77.52 -29.74 52.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.05 -1.657 . . . . 0.0 110.151 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.572 ' HB2' ' H ' ' B' ' 29' ' ' SER . 51.4 mt-10 -74.33 -40.85 61.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.641 -1.287 . . . . 0.0 111.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.657 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.1 pp -60.01 -45.59 92.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.724 -1.235 . . . . 0.0 109.173 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.657 ' N ' HD12 ' B' ' 33' ' ' LEU . 75.5 tttt -63.4 -39.06 93.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.865 -0.522 . . . . 0.0 111.246 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' B' ' 31' ' ' LYS . 98.0 m-20 -70.04 -39.96 75.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.844 -1.16 . . . . 0.0 110.871 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -65.86 -39.99 91.25 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.975 0.893 . . . . 0.0 110.618 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.414 HD21 HD23 ' B' ' 45' ' ' LEU . 6.8 tp -78.89 -52.75 7.86 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-O 121.481 0.658 . . . . 0.0 111.928 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.577 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.9 pt20 -62.2 -40.05 94.79 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 122.134 0.969 . . . . 0.0 112.752 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 2.7 t -47.26 -49.27 23.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.342 -0.849 . . . . 0.0 110.712 -175.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.434 ' N ' HG23 ' B' ' 39' ' ' THR . 85.6 mt-10 -99.16 -15.01 19.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 0.0 109.942 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 mt -130.23 41.69 3.37 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.577 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.3 m -60.01 -50.37 74.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.214 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -83.93 -18.24 38.01 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.458 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.3 t80 -81.86 -96.34 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 119.991 -1.693 . . . . 0.0 112.007 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.517 HD23 HD12 ' B' ' 81' ' ' LEU . 10.8 mp -40.09 159.37 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.1 t0 -91.38 103.88 16.47 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 122.45 2.386 . . . . 0.0 109.535 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.412 HG11 HD23 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -142.46 -47.15 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.798 -1.189 . . . . 0.0 109.067 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.55 -12.54 51.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.092 -1.005 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 2.4 mmtt -92.61 -18.77 22.64 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.1 m-20 -143.58 93.45 2.47 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.44 64.94 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.98 -38.59 82.99 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.23 85.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.462 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -36.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.087 -1.633 . . . . 0.0 108.161 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.91 -39.98 96.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 110.618 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.89 -40.2 83.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.076 -1.015 . . . . 0.0 110.437 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.24 -53.82 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.428 -0.795 . . . . 0.0 110.886 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttt -59.96 -34.61 73.5 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.373 -0.829 . . . . 0.0 109.862 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -59.07 -49.98 75.8 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.905 -1.122 . . . . 0.0 108.608 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.1 -21.83 62.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 0.0 109.257 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' B' ' 63' ' ' GLU . 33.7 mt -88.36 -28.46 20.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.541 -0.724 . . . . 0.0 109.839 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.554 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 12.8 t0 -72.44 50.93 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' B' ' 61' ' ' LEU . 95.1 mt-10 -60.04 -40.99 91.27 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.42 -19.94 59.19 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.52 37.57 35.13 Favored Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 35.2 p-10 -98.13 -4.94 34.63 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.448 -1.03 . . . . 0.0 111.138 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.554 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 74.07 12.7 81.41 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -130.89 174.31 10.1 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -129.98 129.85 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 120.689 -1.257 . . . . 0.0 108.97 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.16 159.07 15.15 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.979 -1.076 . . . . 0.0 108.697 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.14 -27.48 45.74 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.517 ' O ' HG23 ' B' ' 76' ' ' VAL . 62.7 tt0 -74.53 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.099 0.952 . . . . 0.0 108.758 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.5 -48.78 8.09 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.802 0.811 . . . . 0.0 109.835 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.96 -45.76 92.26 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.504 0.668 . . . . 0.0 111.196 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.717 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.5 t -60.07 -39.59 80.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.215 -0.928 . . . . 0.0 109.803 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.0 t -60.07 -40.05 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.835 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.684 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.0 tm? -62.4 -52.39 63.79 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.662 ' O ' HG22 ' B' ' 82' ' ' THR . 13.1 m -58.7 -36.38 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.447 -1.408 . . . . 0.0 109.232 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.703 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-O 121.723 0.773 . . . . 0.0 109.925 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.57 58.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.517 HD12 HD23 ' B' ' 45' ' ' LEU . 21.5 mt -88.84 -48.97 7.1 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 119.829 -1.794 . . . . 0.0 109.446 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.662 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.8 t -46.11 -46.54 17.13 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.85 -1.156 . . . . 0.0 109.648 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.547 HG23 ' N ' ' B' ' 84' ' ' ALA . 27.5 m -59.97 -44.15 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.031 -1.043 . . . . 0.0 110.482 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.547 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.66 -24.93 65.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.244 -0.91 . . . . 0.0 109.384 -179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.33 -34.0 73.96 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.066 -1.021 . . . . 0.0 108.995 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -59.95 -38.4 82.32 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.142 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -82.53 -3.96 56.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.076 -1.015 . . . . 0.0 109.129 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 58.1 t80 -79.47 -4.99 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.233 -0.917 . . . . 0.0 108.979 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 . . . . . 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 0.0 109.692 -179.719 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' X' ' 9' ' ' LYS . 74.7 m-20 -147.48 8.06 0.89 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.08 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.608 ' CE2' ' ND2' ' X' ' 8' ' ' ASN . 35.9 p-90 -55.71 -41.54 73.95 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.608 ' ND2' ' CE2' ' X' ' 7' ' ' TRP . 46.5 m-80 -52.49 -29.32 24.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.168 -1.583 . . . . 0.0 107.573 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' X' ' 12' ' ' SER . 25.0 ttpp -55.28 -23.81 25.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.589 ' N ' ' O ' ' X' ' 7' ' ' TRP . 10.8 tt -50.01 -36.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.566 HD13 ' O ' ' X' ' 11' ' ' LEU . 0.3 OUTLIER -60.02 -39.83 87.2 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.793 178.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.538 ' N ' ' O ' ' X' ' 9' ' ' LYS . 19.9 p . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.647 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 1.8 tt . . . . . 0 N--CA 1.506 2.33 0 CA-C-O 121.392 0.615 . . . . 0.0 110.011 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Y' ' 6' ' ' ASP . 12.0 t70 -150.04 -4.0 0.37 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.999 0.904 . . . . 0.0 108.574 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.589 ' O ' HG22 ' Y' ' 10' ' ' ILE . 23.3 p-90 -59.94 -47.63 85.01 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.911 -1.118 . . . . 0.0 108.989 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 0.5 OUTLIER -49.88 -32.32 14.22 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.078 -1.639 . . . . 0.0 109.367 179.719 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' Y' ' 12' ' ' SER . 87.5 tttt -59.47 -24.39 63.52 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.589 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.4 tt -47.05 -38.87 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 7.9 tt -67.33 -40.14 85.89 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.921 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 19.5 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.493 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.443 2.537 . . . . 0.0 119.443 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -79.83 168.53 19.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -1.209 . . . . 0.0 108.752 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 35.7 mp0 -59.87 -49.47 77.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.902 -1.124 . . . . 0.0 111.473 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' HG ' HG21 ' B' ' 14' ' ' VAL . 6.1 mt -59.98 -44.17 94.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.428 -1.42 . . . . 0.0 109.617 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.54 -35.41 77.67 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.087 -1.008 . . . . 0.0 109.96 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.88 -43.87 94.53 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.383 -0.823 . . . . 0.0 110.25 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.498 -0.751 . . . . 0.0 112.318 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 ttt -68.53 -50.69 50.18 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.22 -1.55 . . . . 0.0 109.832 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -70.03 -36.98 75.45 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.813 -0.555 . . . . 0.0 111.084 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 13' ' ' ASN . 2.0 t -60.18 -54.88 40.59 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.138 -1.425 . . . . 0.0 109.176 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' A' ' 10' ' ' THR . 6.9 mp -47.61 -34.72 8.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.444 -1.41 . . . . 0.0 108.503 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.505 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 69.9 mt -72.35 -23.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.147 -0.971 . . . . 0.0 108.809 178.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.8 t-20 -77.81 -53.58 7.33 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.352 -0.843 . . . . 0.0 112.026 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 m -72.12 -42.32 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.352 -0.843 . . . . 0.0 111.292 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 5.0 m-30 -60.11 -42.35 94.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.541 -1.349 . . . . 0.0 107.699 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 12' ' ' ILE . 10.1 m-70 -61.38 -38.85 88.5 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 120.786 -1.196 . . . . 0.0 109.676 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.76 -55.52 33.25 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.432 -0.792 . . . . 0.0 113.064 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.757 ' CD2' HD21 ' A' ' 36' ' ' LEU . 19.1 m-70 -79.04 -43.95 23.19 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.612 -1.305 . . . . 0.0 111.344 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.454 ' O ' ' O ' ' A' ' 24' ' ' ASP . 5.6 m -57.5 -31.18 65.76 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.31 9.58 57.68 Favored Glycine 0 N--CA 1.504 3.231 0 O-C-N 120.567 -1.333 . . . . 0.0 110.092 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' GLY . 11.7 ttmm -125.99 -73.65 0.62 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.524 -0.986 . . . . 0.0 108.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 97.1 mt-10 -69.62 42.73 0.05 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.91 -1.119 . . . . 0.0 110.277 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . 173.47 -141.52 6.12 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 119.449 -1.358 . . . . 0.0 110.856 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.454 ' O ' ' O ' ' A' ' 19' ' ' SER . 96.3 m-20 -88.98 170.09 10.98 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -59.55 -49.39 77.96 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 112.093 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -125.4 28.35 6.31 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.306 -1.497 . . . . 0.0 112.834 -177.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -133.9 141.07 47.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.559 -1.338 . . . . 0.0 108.708 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tp -91.79 155.77 18.0 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.542 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 35.3 t -129.32 160.62 32.45 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.203 -0.936 . . . . 0.0 109.258 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.98 -42.31 5.92 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.133 -0.98 . . . . 0.0 111.839 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -77.08 -25.61 52.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.596 -1.94 . . . . 0.0 110.863 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.542 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -73.9 -43.4 58.58 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.727 -1.233 . . . . 0.0 111.115 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.3 pp -59.88 -42.67 94.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.769 -1.207 . . . . 0.0 108.073 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.706 ' N ' HD12 ' A' ' 33' ' ' LEU . 79.3 tttt -60.02 -41.06 91.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.271 -178.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -63.4 -44.83 93.56 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.757 HD21 ' CD2' ' A' ' 18' ' ' HIS . 58.3 mt -71.59 -39.98 70.18 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 119.588 -1.945 . . . . 0.0 111.524 -178.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.23 -46.55 70.22 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.035 -1.041 . . . . 0.0 112.645 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 39' ' ' THR . 16.2 pt20 -71.35 -40.96 70.36 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 122.164 0.983 . . . . 0.0 112.069 -177.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.495 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.3 m -59.95 -44.39 94.42 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.323 -175.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 35.3 mp0 -99.41 -17.52 17.94 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.009 -1.057 . . . . 0.0 111.791 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.718 HD13 HD23 ' A' ' 45' ' ' LEU . 81.6 mt -134.96 52.06 2.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.883 -1.135 . . . . 0.0 110.818 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.547 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 58.1 m -61.92 -45.46 93.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.877 -1.139 . . . . 0.0 110.195 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -66.06 -40.05 90.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 111.561 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.644 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.2 t80 -91.49 -104.75 0.1 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.858 -1.151 . . . . 0.0 111.513 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.718 HD23 HD13 ' A' ' 41' ' ' LEU . 3.8 mm? -8.5 138.95 0.0 OUTLIER 'General case' 0 N--CA 1.528 3.45 0 CA-C-O 115.776 -2.059 . . . . 0.0 110.205 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 12.8 p30 -88.77 124.57 34.27 Favored 'General case' 0 N--CA 1.518 2.969 1 CA-C-N 126.882 4.401 . . . . 0.0 110.043 176.017 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 48' ' ' GLN . 57.8 t -151.63 -94.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.704 -1.248 . . . . 0.0 110.992 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.422 ' N ' HG12 ' A' ' 47' ' ' VAL . 27.0 mt-30 -60.39 -40.37 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.88 . . . . 0.0 112.337 -177.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.692 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.32 -17.15 62.24 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -148.54 91.26 1.87 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.08 76.55 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 19.9 t0 -56.36 -37.82 70.57 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.19 96.66 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.318 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -33.29 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.019 -1.675 . . . . 0.0 108.107 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -68.99 -39.28 79.47 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.445 -0.784 . . . . 0.0 110.741 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' CG ' ' A' ' 52' ' ' ASP . 61.4 mttp -69.28 -39.89 78.1 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.055 -1.028 . . . . 0.0 110.789 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.59 -55.7 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.367 -0.833 . . . . 0.0 109.553 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 1.4 ttt -60.1 -36.69 77.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.0 109.831 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.87 -44.93 93.89 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.04 -25.93 67.27 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.6 mt -90.66 -27.79 18.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.411 -0.805 . . . . 0.0 109.754 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 58' ' ' MET . 90.1 m-20 -72.09 49.02 0.18 Allowed 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 61' ' ' LEU . 43.7 mt-10 -59.88 -42.21 93.29 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -74.44 -20.75 59.91 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.06 39.97 22.09 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.14 -7.31 32.9 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.502 -0.999 . . . . 0.0 112.437 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.57 6.91 82.34 Favored Glycine 0 N--CA 1.502 3.045 0 O-C-N 120.694 -1.254 . . . . 0.0 110.125 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -131.71 175.96 8.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.08 130.38 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 0 O-C-N 120.68 -1.263 . . . . 0.0 108.965 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 38.0 t0 -93.57 167.95 11.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 0.0 108.776 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -59.94 -37.79 80.55 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -178.317 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.611 ' O ' HG23 ' A' ' 76' ' ' VAL . 60.4 tt0 -69.52 -24.2 63.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -85.62 -51.09 6.71 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.801 0.81 . . . . 0.0 110.304 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 1.3 t80 -63.0 -46.86 85.64 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.777 0.798 . . . . 0.0 111.25 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.695 HG12 ' HB1' ' B' ' 79' ' ' ALA . 50.6 t -60.24 -38.26 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.604 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.1 t -57.9 -40.04 74.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.974 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -60.43 -51.09 70.97 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.218 -0.926 . . . . 0.0 112.603 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.54 -28.64 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.484 -1.385 . . . . 0.0 109.504 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.665 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -71.67 -34.88 70.07 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.271 -0.893 . . . . 0.0 110.138 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.0 -20.76 26.78 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -176.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.11 HD13 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -81.62 -31.27 32.53 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.38 -2.075 . . . . 0.0 108.394 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 1.11 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.6 t -72.23 -42.87 65.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.09 -1.006 . . . . 0.0 110.923 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 79' ' ' ALA . 18.6 m -60.06 -44.84 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.883 -1.135 . . . . 0.0 108.995 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.595 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -66.83 -30.34 70.5 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.568 0.699 . . . . 0.0 109.311 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.37 -39.98 94.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.509 -0.744 . . . . 0.0 109.161 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.81 -32.79 72.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.823 . . . . 0.0 109.421 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -59.88 -39.91 86.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.98 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -84.25 -6.98 59.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.936 -1.103 . . . . 0.0 109.997 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.814 -1.179 . . . . 0.0 109.038 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 . . . . . 0 N--CA 1.488 1.453 0 O-C-N 121.782 -0.574 . . . . 0.0 110.954 -178.373 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 108.604 -0.888 . . . . 0.0 108.604 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 36.8 mp0 -59.89 -49.54 77.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.815 -1.178 . . . . 0.0 111.58 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.99 -43.88 94.86 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.396 -1.44 . . . . 0.0 109.752 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.75 -35.2 77.43 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.996 -1.065 . . . . 0.0 109.928 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.94 -44.08 94.59 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.422 -0.799 . . . . 0.0 110.294 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -70.24 -28.91 65.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.654 -0.654 . . . . 0.0 112.286 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.52 -50.78 49.48 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.363 -1.46 . . . . 0.0 109.778 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.0 -36.95 75.54 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.85 -0.531 . . . . 0.0 111.19 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.543 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.9 t -60.17 -54.66 43.19 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.28 -1.368 . . . . 0.0 109.277 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 6.9 mp -48.01 -34.26 9.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.358 -1.464 . . . . 0.0 108.588 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.498 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 70.3 mt -72.81 -23.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.103 -0.998 . . . . 0.0 108.785 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 10' ' ' THR . 19.1 t-20 -77.69 -53.13 7.91 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.364 -0.835 . . . . 0.0 112.026 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.434 HG21 ' HG ' ' A' ' 4' ' ' LEU . 28.5 m -72.72 -42.24 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 111.195 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.643 ' CZ ' ' CE2' ' B' ' 74' ' ' PHE . 5.0 m-30 -60.1 -42.45 94.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.556 -1.34 . . . . 0.0 107.504 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' B' ' 12' ' ' ILE . 10.2 m-70 -61.2 -39.19 89.27 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.695 -1.253 . . . . 0.0 109.62 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.7 31.32 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 0.0 113.022 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.755 ' CD2' HD21 ' B' ' 36' ' ' LEU . 19.1 m-70 -78.91 -44.05 23.49 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.604 -1.31 . . . . 0.0 111.424 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 24' ' ' ASP . 6.0 m -57.5 -30.97 65.55 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.47 9.26 57.29 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.573 -1.33 . . . . 0.0 110.201 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' B' ' 23' ' ' GLY . 12.4 ttmm -125.96 -73.53 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.582 -0.952 . . . . 0.0 108.923 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' B' ' 32' ' ' GLU . 96.4 mt-10 -69.35 42.23 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.886 -1.134 . . . . 0.0 110.411 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . 173.83 -141.3 5.94 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.886 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . 94.9 m-20 -89.21 170.15 10.84 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -59.54 -49.77 76.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.955 -1.091 . . . . 0.0 112.046 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -125.14 28.39 6.39 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.326 -1.484 . . . . 0.0 112.857 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -133.94 140.72 46.95 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.53 -1.356 . . . . 0.0 108.569 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -91.35 156.24 17.91 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.51 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.1 t -129.5 160.86 31.87 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.163 -0.96 . . . . 0.0 109.066 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.8 -41.85 7.32 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.853 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -77.06 -25.71 52.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 119.576 -1.952 . . . . 0.0 110.776 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.51 ' HB2' ' H ' ' B' ' 29' ' ' SER . 50.5 mt-10 -73.93 -43.03 59.65 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.619 -1.301 . . . . 0.0 111.134 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.713 HD12 ' N ' ' B' ' 34' ' ' LYS . 4.3 pp -60.02 -42.54 94.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 108.098 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.713 ' N ' HD12 ' B' ' 33' ' ' LEU . 81.3 tttt -60.08 -41.02 91.56 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.148 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -63.38 -45.32 91.64 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.755 HD21 ' CD2' ' B' ' 18' ' ' HIS . 61.6 mt -71.19 -39.88 71.54 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 119.653 -1.904 . . . . 0.0 111.558 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.66 -46.26 69.59 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.139 -0.975 . . . . 0.0 112.68 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.51 ' CG ' ' N ' ' B' ' 39' ' ' THR . 16.3 pt20 -71.41 -41.02 70.1 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.319 1.057 . . . . 0.0 111.983 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.51 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.0 m -59.91 -44.6 94.19 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.32 -175.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.467 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 34.9 mp0 -99.35 -17.02 18.23 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.033 -1.042 . . . . 0.0 111.889 -177.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.712 HD13 HD23 ' B' ' 45' ' ' LEU . 77.7 mt -135.3 52.13 2.04 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.026 -1.047 . . . . 0.0 110.743 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.54 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 61.9 m -62.17 -45.2 94.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.952 -1.092 . . . . 0.0 110.118 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 73.4 m -66.15 -39.91 90.16 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.283 -0.885 . . . . 0.0 111.531 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' B' ' 45' ' ' LEU . 4.7 t80 -92.19 -91.99 0.16 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.954 -1.091 . . . . 0.0 112.865 -177.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.712 HD23 HD13 ' B' ' 41' ' ' LEU . 3.4 mm? -31.35 146.12 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.03 0 CA-C-O 117.384 -1.294 . . . . 0.0 109.02 -174.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 18.1 p-10 -88.99 123.25 33.14 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 124.5 3.318 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.428 HG12 ' N ' ' B' ' 48' ' ' GLN . 59.8 t -151.69 -94.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 120.788 -1.195 . . . . 0.0 110.793 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.428 ' N ' HG12 ' B' ' 47' ' ' VAL . 27.1 mt-30 -60.1 -40.11 88.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 112.492 -177.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.69 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -63.73 -17.4 62.98 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -148.14 91.45 1.92 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.04 76.11 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.479 ' CG ' ' NZ ' ' B' ' 56' ' ' LYS . 18.3 t0 -56.56 -38.58 72.11 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.79 98.88 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.074 -176.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -33.42 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.217 -1.552 . . . . 0.0 108.327 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -69.07 -39.74 78.92 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.416 -0.803 . . . . 0.0 110.693 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.479 ' NZ ' ' CG ' ' B' ' 52' ' ' ASP . 59.6 mttp -68.69 -40.0 80.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.051 -1.031 . . . . 0.0 110.744 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.85 -55.59 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.375 -0.828 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.502 ' O ' ' N ' ' B' ' 62' ' ' ASP . 1.5 ttt -59.98 -36.85 78.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.468 -0.77 . . . . 0.0 109.939 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -59.73 -44.63 93.67 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.13 -23.8 66.77 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 63' ' ' GLU . 33.7 mt -92.48 -27.72 17.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.451 -0.78 . . . . 0.0 109.453 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 58' ' ' MET . 89.7 m-20 -72.28 49.11 0.19 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' B' ' 61' ' ' LEU . 44.1 mt-10 -60.05 -42.23 94.04 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -74.43 -20.85 59.89 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.12 39.94 21.96 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 107.774 -2.13 . . . . 0.0 107.774 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -97.09 -7.6 32.3 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 121.508 -0.995 . . . . 0.0 112.336 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.24 7.61 82.44 Favored Glycine 0 N--CA 1.501 3.007 0 O-C-N 120.705 -1.247 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -131.89 176.01 8.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.05 130.29 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 O-C-N 120.639 -1.288 . . . . 0.0 109.067 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 38.4 t0 -93.71 167.74 11.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.789 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.419 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -59.66 -37.42 78.69 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.313 -178.254 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.608 ' O ' HG23 ' B' ' 76' ' ' VAL . 58.7 tt0 -69.93 -24.4 63.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -85.47 -51.05 6.79 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.123 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.643 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 1.3 t80 -62.9 -46.86 85.85 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.792 0.806 . . . . 0.0 111.236 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.665 HG12 ' HB1' ' A' ' 79' ' ' ALA . 55.0 t -59.93 -38.74 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.104 -0.998 . . . . 0.0 110.667 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.1 t -57.67 -39.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 C-N-CA 118.961 -1.095 . . . . 0.0 109.139 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.709 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.1 tm? -60.19 -51.81 67.99 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.205 -0.935 . . . . 0.0 112.349 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -62.78 -29.38 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.605 -1.309 . . . . 0.0 109.695 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.695 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -71.44 -34.87 70.66 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.326 -0.859 . . . . 0.0 110.084 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.546 ' HB3' HD11 ' Y' ' 11' ' ' LEU . . . -86.66 -20.92 27.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 1.107 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -81.98 -31.35 31.17 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 119.388 -2.07 . . . . 0.0 108.348 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 1.107 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.6 t -72.13 -42.57 65.86 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.982 -1.074 . . . . 0.0 110.944 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.655 HG13 ' O ' ' B' ' 79' ' ' ALA . 18.1 m -60.16 -45.05 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.966 -1.084 . . . . 0.0 109.116 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.606 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -67.54 -29.4 68.78 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.465 0.65 . . . . 0.0 109.306 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.39 -39.91 94.79 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.456 -0.778 . . . . 0.0 109.136 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -61.01 -32.89 72.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.343 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.84 -39.6 85.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.256 -0.903 . . . . 0.0 108.925 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -84.49 -6.9 59.41 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.924 -1.11 . . . . 0.0 109.983 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.06 -35.46 66.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.901 -1.124 . . . . 0.0 109.021 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 . . . . . 0 N--CA 1.488 1.473 0 O-C-N 121.784 -0.572 . . . . 0.0 110.868 -178.426 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.45 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 3.4 pt . . . . . 0 N--CA 1.497 1.888 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -109.93 17.72 20.84 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.034 -1.041 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.582 ' O ' HG22 ' X' ' 10' ' ' ILE . 62.1 t90 -59.88 -47.52 85.43 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.172 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.854 ' ND2' HD11 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -50.76 -33.36 22.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 119.893 -1.754 . . . . 0.0 109.116 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.92 -25.28 65.01 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.582 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.8 tt -50.77 -43.22 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.4 tp -71.04 -41.13 71.2 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.08 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.448 ' O ' ' O ' ' X' ' 11' ' ' LEU . 3.1 t . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.161 -0.923 . . . . 0.0 109.649 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.409 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.9 pt . . . . . 0 N--CA 1.499 2.008 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -108.78 16.99 22.34 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.901 0.857 . . . . 0.0 108.79 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.625 ' O ' HG22 ' Y' ' 10' ' ' ILE . 56.4 t90 -59.89 -49.95 75.67 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 110.585 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.776 ' ND2' HD11 ' B' ' 57' ' ' ILE . 1.0 OUTLIER -52.07 -31.23 29.43 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 119.622 -1.923 . . . . 0.0 108.987 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.94 -23.89 63.92 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.625 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.96 -37.38 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.599 ' O ' HD23 ' Y' ' 11' ' ' LEU . 3.0 tt -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.588 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.93 0 N-CA-C 120.046 2.778 . . . . 0.0 120.046 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -86.93 36.34 0.72 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.474 -1.016 . . . . 0.0 110.126 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.28 -42.61 95.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.06 -1.025 . . . . 0.0 110.974 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 58.5 tp -62.33 -42.31 99.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.6 -1.312 . . . . 0.0 109.79 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.66 -38.62 85.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.119 -0.988 . . . . 0.0 109.238 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.5 m -48.75 -45.75 40.14 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 122.072 0.939 . . . . 0.0 110.213 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -28.61 64.56 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.2 ttt -70.31 -52.15 24.96 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.057 -1.652 . . . . 0.0 110.916 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.54 -29.49 70.12 Favored 'General case' 0 C--N 1.289 -2.022 0 O-C-N 121.623 -0.673 . . . . 0.0 110.303 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.52 -58.65 6.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.983 . . . . 0.0 110.239 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.46 -40.06 61.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.384 -1.448 . . . . 0.0 110.047 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.54 -39.44 85.6 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 O-C-N 120.996 -1.065 . . . . 0.0 112.0 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -79.02 -44.76 21.6 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.042 -1.661 . . . . 0.0 112.451 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.9 p -59.93 -40.65 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.825 -1.172 . . . . 0.0 109.145 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 40.8 t80 -62.52 -40.4 96.61 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.711 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.0 -27.25 64.54 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.493 -1.379 . . . . 0.0 109.718 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -55.67 31.5 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.416 -0.802 . . . . 0.0 112.465 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.892 ' NE2' HD11 ' A' ' 28' ' ' LEU . 7.8 p-80 -86.66 -38.83 16.66 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.278 -0.889 . . . . 0.0 111.32 -178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.457 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 46.7 m -54.16 -29.09 44.3 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 112.372 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.56 11.04 25.86 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.87 -1.144 . . . . 0.0 112.574 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -114.82 -73.49 0.65 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 119.361 1.58 . . . . 0.0 108.884 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -87.69 76.46 8.84 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.45 -153.85 25.15 Favored Glycine 0 N--CA 1.488 2.112 0 C-N-CA 119.487 -1.339 . . . . 0.0 111.065 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -75.47 157.24 34.31 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.678 0.752 . . . . 0.0 110.239 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.43 ' CD ' ' H ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -56.05 -50.74 70.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.591 -0.693 . . . . 0.0 111.994 -177.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.473 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 41.5 t80 -134.69 37.67 3.08 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.556 -1.34 . . . . 0.0 111.222 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -139.86 142.82 36.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.906 -1.121 . . . . 0.0 108.675 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.892 HD11 ' NE2' ' A' ' 18' ' ' HIS . 4.1 tp -92.51 150.24 20.88 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.493 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 59.9 m -129.65 166.7 19.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.909 -1.12 . . . . 0.0 108.294 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -46.44 -32.77 3.49 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.628 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -82.85 -38.39 23.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.757 -1.215 . . . . 0.0 111.232 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HB2' ' H ' ' A' ' 29' ' ' SER . 34.4 mt-10 -70.03 -39.94 75.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.119 -1.613 . . . . 0.0 109.798 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.7 pp -59.37 -52.17 66.76 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.472 -1.392 . . . . 0.0 110.507 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.753 ' N ' HD12 ' A' ' 33' ' ' LEU . 78.2 tttt -60.12 -40.15 88.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.746 -1.221 . . . . 0.0 112.369 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 51.1 t0 -62.38 -40.73 97.4 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.017 -1.052 . . . . 0.0 110.589 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 18' ' ' HIS . 44.7 tp -59.99 -49.6 77.04 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.724 -0.61 . . . . 0.0 111.893 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.837 HD12 HD22 ' A' ' 45' ' ' LEU . 4.0 mm? -70.3 -40.41 74.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.912 -1.118 . . . . 0.0 112.884 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.55 -23.09 59.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 112.619 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.7 m -59.59 -45.44 91.87 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.809 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.483 ' C ' HD12 ' A' ' 41' ' ' LEU . 60.2 mt-10 -107.01 -39.54 5.72 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.46 -0.775 . . . . 0.0 111.361 -177.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.1 mp -99.47 42.58 1.1 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.904 -1.122 . . . . 0.0 108.782 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -60.07 -45.24 93.55 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.499 0.666 . . . . 0.0 109.982 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.0 t -85.03 -20.07 31.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.474 -0.766 . . . . 0.0 111.873 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.68 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 1.9 t80 -89.0 -105.09 0.09 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.491 -1.381 . . . . 0.0 111.483 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.837 HD22 HD12 ' A' ' 37' ' ' LEU . 1.4 tp -13.08 150.78 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.93 0 CA-C-O 117.435 -1.269 . . . . 0.0 110.24 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.45 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 33.5 t0 -93.75 103.69 15.81 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 124.271 3.214 . . . . 0.0 109.089 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -142.39 -56.32 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 O-C-N 120.348 -1.47 . . . . 0.0 110.212 179.123 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.5 pt20 -81.55 -35.93 29.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.776 -1.202 . . . . 0.0 109.727 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.644 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -68.37 -22.57 64.65 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.09 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 46' ' ' ASP . 76.9 m-20 -141.65 91.95 2.41 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.52 69.98 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.86 -38.57 82.5 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.75 76.46 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.826 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -39.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.484 -1.385 . . . . 0.0 107.934 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -61.1 -39.97 91.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.257 -0.902 . . . . 0.0 110.658 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.76 -40.04 94.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.514 -1.366 . . . . 0.0 109.425 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.854 HD11 ' ND2' ' X' ' 8' ' ' ASN . 49.2 mt -70.95 -51.3 36.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.534 0.683 . . . . 0.0 111.699 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.1 tpt -60.27 -42.76 96.07 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 121.057 -1.027 . . . . 0.0 110.041 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -43.51 98.72 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.09 -28.41 67.8 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.8 mt -94.76 -20.02 19.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.553 -0.717 . . . . 0.0 110.73 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' MET . 95.2 m-20 -74.28 41.87 0.15 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.648 -1.282 . . . . 0.0 107.998 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 61' ' ' LEU . 100.0 mt-10 -59.76 -40.38 87.98 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.564 -0.854 . . . . 0.0 108.849 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.88 -19.42 61.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.68 32.44 64.23 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -93.43 -6.43 47.06 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.439 -1.036 . . . . 0.0 111.894 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.99 5.84 66.31 Favored Glycine 0 N--CA 1.499 2.862 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.86 175.48 8.01 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.519 ' HB ' HD23 ' A' ' 28' ' ' LEU . 5.7 t -135.44 130.47 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 O-C-N 120.422 -1.424 . . . . 0.0 109.104 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.548 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -97.73 155.62 16.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.693 -1.254 . . . . 0.0 108.867 -179.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 24.5 t80 -52.51 -22.77 5.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 76' ' ' VAL . 61.7 tt0 -80.69 -22.5 40.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.843 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' HD22 ' A' ' 61' ' ' LEU . 76.3 mt-10 -80.8 -52.03 7.96 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.49 -0.756 . . . . 0.0 109.552 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.85 -40.96 45.93 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.319 -0.953 . . . . 0.0 111.558 -178.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.56 HG12 ' HB1' ' B' ' 79' ' ' ALA . 58.9 t -53.94 -38.97 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 119.995 -1.691 . . . . 0.0 108.032 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -59.99 -37.15 71.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -69.98 -55.97 8.22 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -177.063 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.768 ' O ' HG22 ' A' ' 82' ' ' THR . 16.3 m -49.85 -36.39 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 120.513 -1.367 . . . . 0.0 107.725 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -63.3 -38.38 90.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -78.66 -24.25 45.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 45' ' ' LEU . 82.1 mt -85.83 -46.36 10.71 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 119.513 -1.992 . . . . 0.0 109.429 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 78' ' ' VAL . 4.8 t -57.49 -42.02 81.84 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.331 -0.856 . . . . 0.0 111.069 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 79' ' ' ALA . 31.0 m -60.05 -42.81 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.58 -1.325 . . . . 0.0 108.717 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.589 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.56 -31.03 70.16 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.05 -39.65 82.97 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.51 -0.744 . . . . 0.0 109.993 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.441 ' ND2' ' OH ' ' B' ' 26' ' ' TYR . 57.9 t-20 -60.16 -39.5 86.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.093 -1.005 . . . . 0.0 108.804 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.25 -39.77 87.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.064 -1.022 . . . . 0.0 109.456 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.44 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 61.1 t80 -83.17 -4.45 58.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.417 -0.802 . . . . 0.0 109.647 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 61.1 t80 -80.76 -9.01 59.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.949 . . . . 0.0 109.127 179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 t90 . . . . . 0 N--CA 1.494 1.741 0 O-C-N 121.318 -0.864 . . . . 0.0 109.73 -179.592 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m . . . . . 0 N--CA 1.492 1.661 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.27 -42.35 95.22 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.194 -0.942 . . . . 0.0 110.932 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.483 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 59.9 tp -62.9 -41.95 99.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.65 -1.281 . . . . 0.0 109.716 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.38 -39.14 86.21 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.142 -0.974 . . . . 0.0 109.315 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -48.45 -45.82 37.0 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 122.027 0.918 . . . . 0.0 110.198 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.44 -29.13 65.63 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.5 ttt -70.73 -51.8 25.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.085 -1.635 . . . . 0.0 110.968 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.94 -28.43 68.91 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.545 -0.722 . . . . 0.0 110.302 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -58.51 6.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 110.151 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -52.46 -39.79 61.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.38 -1.45 . . . . 0.0 109.969 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.8 -39.89 87.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 120.949 -1.095 . . . . 0.0 112.131 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -78.97 -44.11 23.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.054 -1.654 . . . . 0.0 112.46 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.476 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.9 p -60.7 -40.17 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.801 -1.187 . . . . 0.0 108.889 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.588 ' CZ ' HD13 ' B' ' 28' ' ' LEU . 42.4 t80 -62.65 -40.15 96.12 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.705 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -70.09 -27.76 64.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.447 -1.408 . . . . 0.0 109.695 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.7 30.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.37 -0.832 . . . . 0.0 112.544 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.914 ' NE2' HD11 ' B' ' 28' ' ' LEU . 7.8 p-80 -86.46 -39.01 16.73 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.33 -0.856 . . . . 0.0 111.339 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' B' ' 18' ' ' HIS . 45.7 m -54.03 -29.29 43.17 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.382 -0.824 . . . . 0.0 112.632 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 11.26 25.67 Favored Glycine 0 N--CA 1.508 3.454 0 O-C-N 120.875 -1.141 . . . . 0.0 112.42 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -115.01 -73.38 0.65 Allowed 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 119.352 1.576 . . . . 0.0 108.931 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -87.75 75.81 8.89 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.016 -1.053 . . . . 0.0 108.234 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.56 -153.77 25.06 Favored Glycine 0 N--CA 1.487 2.042 0 C-N-CA 119.45 -1.357 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -75.94 157.49 33.12 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.877 -0.778 . . . . 0.0 110.248 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.426 ' CD ' ' H ' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -55.86 -50.79 69.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.646 -0.659 . . . . 0.0 112.0 -177.287 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 42.8 t80 -134.67 37.34 3.09 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.44 -1.412 . . . . 0.0 111.242 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.428 ' HZ2' ' H ' ' B' ' 28' ' ' LEU . 1.0 OUTLIER -139.52 142.84 37.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.01 -1.056 . . . . 0.0 108.717 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.914 HD11 ' NE2' ' B' ' 18' ' ' HIS . 4.1 tp -92.4 150.25 20.92 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.48 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 51.2 m -129.7 166.69 19.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.977 -1.077 . . . . 0.0 108.256 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -46.45 -33.0 3.63 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.067 -1.021 . . . . 0.0 109.567 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -82.95 -38.01 23.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.671 -1.268 . . . . 0.0 111.161 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' B' ' 29' ' ' SER . 33.6 mt-10 -70.21 -39.71 74.97 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 119.946 -1.721 . . . . 0.0 109.791 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.773 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.7 pp -59.56 -51.72 68.61 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.53 -1.356 . . . . 0.0 110.262 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.773 ' N ' HD12 ' B' ' 33' ' ' LEU . 76.3 tttt -60.32 -40.38 90.37 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.875 -1.141 . . . . 0.0 112.367 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 51.5 t0 -62.44 -40.45 96.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.996 -1.065 . . . . 0.0 110.676 -178.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' B' ' 18' ' ' HIS . 44.5 tp -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.673 -0.642 . . . . 0.0 111.678 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.744 HD12 HD22 ' B' ' 45' ' ' LEU . 4.0 mm? -70.25 -40.87 74.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.855 -1.153 . . . . 0.0 112.821 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.1 -22.87 60.48 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.024 -1.048 . . . . 0.0 112.651 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.2 m -59.62 -45.76 90.98 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 117.914 -1.514 . . . . 0.0 108.712 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.5 ' C ' HD12 ' B' ' 41' ' ' LEU . 61.7 mt-10 -106.96 -38.72 5.96 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.283 -0.886 . . . . 0.0 111.407 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.665 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.2 mp -99.84 42.43 1.11 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.869 -1.144 . . . . 0.0 108.801 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.407 ' OG ' ' OE1' ' B' ' 48' ' ' GLN . 0.3 OUTLIER -60.02 -45.22 93.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.458 0.647 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.3 t -85.16 -19.5 31.68 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.474 -0.766 . . . . 0.0 111.863 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 1.9 t80 -89.72 -92.16 0.13 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.469 -1.395 . . . . 0.0 113.318 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.744 HD22 HD12 ' B' ' 37' ' ' LEU . 2.0 tp -36.91 157.4 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 33.2 t0 -93.54 102.84 15.05 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 122.437 2.38 . . . . 0.0 108.888 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -142.68 -55.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 O-C-N 120.586 -1.321 . . . . 0.0 110.065 179.249 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.462 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.3 pt20 -82.22 -35.92 27.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.764 -1.21 . . . . 0.0 109.772 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.644 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -68.92 -22.27 64.16 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.091 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 76.9 m-20 -141.42 91.91 2.42 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.87 70.22 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.95 -38.71 83.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.27 77.09 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.64 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -38.9 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.318 -1.488 . . . . 0.0 107.96 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -61.3 -40.14 93.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.329 -0.857 . . . . 0.0 110.793 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.49 -40.06 94.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.436 -1.415 . . . . 0.0 109.477 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.776 HD11 ' ND2' ' Y' ' 8' ' ' ASN . 41.5 mt -70.8 -51.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.461 0.648 . . . . 0.0 111.789 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.421 ' O ' ' N ' ' B' ' 62' ' ' ASP . 3.0 tpt -60.65 -42.37 96.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.042 -1.036 . . . . 0.0 109.976 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.38 98.97 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.95 -26.43 67.52 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' B' ' 63' ' ' GLU . 42.6 mt -96.27 -20.19 18.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 110.488 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' B' ' 58' ' ' MET . 94.5 m-20 -74.31 42.1 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.78 -1.2 . . . . 0.0 108.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -60.07 -40.08 88.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.8 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.94 -19.17 61.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.59 32.38 64.53 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -93.91 -6.35 45.81 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.345 -1.091 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.55 6.56 66.54 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -127.0 175.13 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.505 ' HB ' HD23 ' B' ' 28' ' ' LEU . 5.3 t -134.96 130.75 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 O-C-N 120.258 -1.526 . . . . 0.0 109.064 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.535 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 0.9 OUTLIER -97.82 155.7 16.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.677 -1.264 . . . . 0.0 108.735 -179.655 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.531 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 26.5 t80 -52.65 -22.74 5.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.563 -0.711 . . . . 0.0 109.304 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.459 ' O ' HG23 ' B' ' 76' ' ' VAL . 61.7 tt0 -80.64 -22.52 40.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.865 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.415 ' O ' HD22 ' B' ' 61' ' ' LEU . 77.9 mt-10 -81.11 -51.33 8.58 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.288 -0.882 . . . . 0.0 109.626 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -76.94 -41.68 42.35 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.343 -178.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.562 HG12 ' HB1' ' A' ' 79' ' ' ALA . 78.4 t -53.83 -38.67 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.041 -1.662 . . . . 0.0 108.104 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.9 t -60.05 -37.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' B' ' 80' ' ' ALA . 0.5 OUTLIER -69.96 -55.97 8.24 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -177.182 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.724 ' O ' HG22 ' B' ' 82' ' ' THR . 17.3 m -49.95 -35.54 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 120.602 -1.311 . . . . 0.0 107.607 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.58 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -63.17 -39.58 95.07 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 176.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -78.11 -24.29 47.57 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.502 HD13 HD11 ' B' ' 45' ' ' LEU . 81.0 mt -85.54 -47.12 10.19 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 119.577 -1.952 . . . . 0.0 109.559 -178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.724 HG22 ' O ' ' B' ' 78' ' ' VAL . 5.1 t -56.59 -42.18 78.25 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.396 -0.815 . . . . 0.0 110.953 178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.58 HG13 ' O ' ' B' ' 79' ' ' ALA . 28.4 m -60.18 -43.27 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.551 -1.343 . . . . 0.0 108.733 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.562 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.87 -30.61 70.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.488 -0.757 . . . . 0.0 108.987 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.2 -39.22 82.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.509 -0.745 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.412 ' ND2' ' OH ' ' A' ' 26' ' ' TYR . 57.8 t-20 -60.14 -39.52 86.6 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 108.921 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.121 -0.987 . . . . 0.0 109.398 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.443 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 63.7 t80 -82.94 -4.29 58.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.53 -0.731 . . . . 0.0 109.684 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -81.19 -8.99 59.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.124 -0.985 . . . . 0.0 109.071 179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.2 t90 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 121.367 -0.833 . . . . 0.0 109.706 -179.71 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.401 HD13 HG21 ' X' ' 5' ' ' ILE . 8.5 pt . . . . . 0 N--CA 1.494 1.763 0 CA-C-O 121.889 0.852 . . . . 0.0 110.251 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -120.8 28.18 8.08 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.667 ' O ' HG22 ' X' ' 10' ' ' ILE . 61.8 t90 -59.98 -50.25 74.48 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.134 -0.979 . . . . 0.0 111.398 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.738 ' OD1' HD11 ' A' ' 57' ' ' ILE . 13.3 t-20 -52.88 -27.94 20.88 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 119.275 -2.141 . . . . 0.0 107.884 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -24.59 63.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.667 HG22 ' O ' ' X' ' 7' ' ' TRP . 6.6 tt -53.29 -37.06 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 53.7 tp -65.68 -41.1 92.84 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.941 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.048 179.539 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 24.2 pt . . . . . 0 N--CA 1.492 1.663 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -132.52 21.84 4.32 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.297 -0.877 . . . . 0.0 109.575 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.663 ' O ' HG22 ' Y' ' 10' ' ' ILE . 20.5 p-90 -58.82 -40.25 83.6 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.713 -1.242 . . . . 0.0 108.056 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.613 ' OD1' HD11 ' B' ' 57' ' ' ILE . 22.8 t-20 -51.25 -30.55 18.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.072 -1.642 . . . . 0.0 107.846 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' Y' ' 12' ' ' SER . 56.9 tttm -59.79 -24.91 64.5 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.663 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -49.04 -40.08 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 64.0 tp -63.5 -40.05 96.04 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . 0.473 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.9 m . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.275 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.484 2.553 . . . . 0.0 119.484 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -102.08 22.32 13.34 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.462 -1.022 . . . . 0.0 109.568 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.38 89.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.038 -1.039 . . . . 0.0 110.683 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.4 -41.83 98.97 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.454 -1.404 . . . . 0.0 108.866 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.96 -38.99 87.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.528 -0.732 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.0 m -52.7 -44.56 66.37 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.475 0.655 . . . . 0.0 110.5 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.4 65.53 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ttt -71.33 -49.31 43.85 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.26 -1.525 . . . . 0.0 110.784 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.93 -24.6 63.39 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.686 -0.634 . . . . 0.0 110.577 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.693 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -68.44 -58.99 3.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 109.998 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 7.2 mp -47.91 -36.57 12.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.504 -1.372 . . . . 0.0 109.105 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.33 -39.97 79.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 O-C-N 121.387 -0.82 . . . . 0.0 112.26 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -83.57 -43.63 15.48 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 119.703 -1.873 . . . . 0.0 113.295 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 10' ' ' THR . 2.2 p -62.29 -41.86 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.312 -1.492 . . . . 0.0 109.014 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.658 ' CD1' HG13 ' A' ' 14' ' ' VAL . 7.8 m-30 -63.04 -39.37 94.55 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.125 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -60.21 -39.97 88.45 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.93 -1.106 . . . . 0.0 109.857 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.5 -55.39 16.24 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.902 . . . . 0.0 112.557 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.52 -41.23 55.72 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.993 -1.067 . . . . 0.0 111.371 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.9 t -62.35 -23.54 66.84 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.475 -0.766 . . . . 0.0 112.417 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.39 2.2 32.77 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.658 ' C ' ' H ' ' A' ' 23' ' ' GLY . 35.4 ttmt -124.65 -75.9 0.59 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.533 -0.981 . . . . 0.0 108.999 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -57.29 15.26 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.8 -1.187 . . . . 0.0 110.716 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.658 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -166.65 163.84 37.28 Favored Glycine 0 N--CA 1.485 1.911 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 31.2 t0 -77.72 162.17 27.18 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.503 -0.998 . . . . 0.0 108.64 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 27.7 tptp -67.76 84.45 0.2 Allowed 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ASP . 58.3 t80 -146.89 -55.0 0.24 Allowed 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.903 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -178.72 -176.35 0.46 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 tp -87.18 105.19 17.03 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.611 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 60.4 m -70.45 156.01 39.93 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.168 -1.583 . . . . 0.0 108.118 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.476 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.0 tttt -42.94 -30.35 0.4 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.594 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -25.54 28.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.654 -1.279 . . . . 0.0 109.643 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' A' ' 29' ' ' SER . 36.6 mt-10 -69.98 -42.42 73.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.804 -1.185 . . . . 0.0 109.898 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.8 pp -65.18 -41.7 94.36 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.103 0.954 . . . . 0.0 109.765 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.614 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.1 tttt -61.57 -46.88 88.01 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.59 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -68.61 -38.69 80.81 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.656 0.741 . . . . 0.0 110.423 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.613 HD23 ' CZ ' ' A' ' 74' ' ' PHE . 26.8 tp -60.94 -39.2 88.56 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.492 -0.755 . . . . 0.0 111.144 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -81.44 -48.76 11.47 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -65.8 -27.45 68.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.093 -1.004 . . . . 0.0 111.636 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.6 m -59.03 -46.18 88.87 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.17 -175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -107.91 -15.26 14.58 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.296 -0.878 . . . . 0.0 111.696 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.413 HD13 HD23 ' A' ' 45' ' ' LEU . 22.6 mt -131.53 49.03 2.36 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.085 -1.009 . . . . 0.0 109.611 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.528 ' OG ' ' NE2' ' A' ' 48' ' ' GLN . 45.4 t -63.28 -49.98 71.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.609 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -64.24 -40.4 95.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.444 -0.785 . . . . 0.0 111.565 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.604 ' O ' ' O ' ' A' ' 45' ' ' LEU . 37.5 t80 -86.48 -101.28 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.701 -1.25 . . . . 0.0 111.068 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.604 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -8.54 133.89 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.079 0 CA-C-O 114.993 -2.432 . . . . 0.0 109.629 177.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.57 ' OD2' ' N ' ' X' ' 8' ' ' ASN . 42.3 m-20 -88.81 118.63 28.65 Favored 'General case' 0 N--CA 1.521 3.099 1 CA-C-N 127.785 4.811 . . . . 0.0 109.237 176.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 48' ' ' GLN . 71.5 t -146.9 -83.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.912 -1.117 . . . . 0.0 110.271 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.528 ' NE2' ' OG ' ' A' ' 42' ' ' SER . 12.4 pt20 -63.31 -41.64 98.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.419 -0.801 . . . . 0.0 112.058 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 20.5 mtmm -60.81 -39.09 87.65 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 120.697 -1.252 . . . . 0.0 108.12 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -123.26 91.37 3.47 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.25 70.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.26 -39.81 88.13 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.07 79.49 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.691 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -37.38 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.491 -1.381 . . . . 0.0 109.005 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.476 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 95.5 m-20 -64.7 -42.16 95.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.148 -0.97 . . . . 0.0 110.791 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.82 -39.64 93.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.986 -1.071 . . . . 0.0 109.581 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.738 HD11 ' OD1' ' X' ' 8' ' ' ASN . 5.7 mm -66.23 -56.55 14.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.692 -0.63 . . . . 0.0 111.618 -178.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -62.45 -36.14 81.5 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.038 -1.039 . . . . 0.0 111.586 -178.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -60.05 -41.95 93.4 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.16 -23.55 64.02 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 63' ' ' GLU . 32.5 mt -96.65 -25.2 15.66 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 110.476 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 58' ' ' MET . 13.0 t0 -73.01 50.17 0.26 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' LEU . 93.8 mt-10 -60.04 -40.18 88.49 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.912 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -78.39 -20.88 50.24 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.0 39.14 28.53 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 107.009 -2.436 . . . . 0.0 107.009 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 31.1 p-10 -94.27 -12.48 28.03 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.602 -0.94 . . . . 0.0 112.078 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.12 0.44 80.61 Favored Glycine 0 N--CA 1.504 3.221 0 O-C-N 120.788 -1.195 . . . . 0.0 110.928 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 37.7 mp0 -137.89 177.93 7.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.629 -1.512 . . . . 0.0 107.872 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.15 132.21 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.443 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' GLU . 29.6 t0 -95.87 147.78 23.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.409 -0.807 . . . . 0.0 109.128 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 13.5 t80 -46.58 -26.96 0.99 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.52 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 76' ' ' VAL . 94.8 mt-30 -77.59 -29.2 51.9 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.931 -1.106 . . . . 0.0 108.808 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.3 mt-10 -83.44 -45.92 13.1 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 122.24 1.019 . . . . 0.0 109.109 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.613 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 31.9 t80 -60.42 -49.88 75.81 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.641 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.755 HG12 ' HB1' ' B' ' 79' ' ' ALA . 55.9 t -61.2 -39.98 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.776 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 72' ' ' GLN . 45.4 t -56.35 -30.47 30.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.7 -1.25 . . . . 0.0 108.673 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -78.98 -56.06 4.67 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.338 -0.851 . . . . 0.0 112.792 -177.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.45 ' H ' HG13 ' A' ' 78' ' ' VAL . 3.9 m -51.46 -34.06 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.433 -1.417 . . . . 0.0 109.177 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.758 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -74.01 -39.83 63.34 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.538 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.8 -24.76 55.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.088 -1.007 . . . . 0.0 113.148 -176.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.541 HD22 HD11 ' A' ' 45' ' ' LEU . 2.5 pp -83.56 -40.09 19.56 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 119.762 -1.836 . . . . 0.0 109.906 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.432 ' N ' ' HG ' ' A' ' 81' ' ' LEU . 2.4 t -59.82 -41.51 91.47 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.33 -0.856 . . . . 0.0 110.343 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 6.8 m -58.89 -40.05 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.53 -25.83 64.22 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.49 -39.96 81.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 109.585 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -60.02 -39.85 87.25 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.428 -0.795 . . . . 0.0 109.321 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.97 -39.85 87.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.412 -0.805 . . . . 0.0 110.089 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 6.6 t80 -89.11 -5.57 57.7 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.16 -0.963 . . . . 0.0 109.508 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 28.0 t80 -89.85 -3.86 57.88 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 108.937 179.464 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.1 t90 . . . . . 0 C--N 1.302 -1.499 0 O-C-N 121.615 -0.678 . . . . 0.0 109.699 -179.163 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 109.25 -0.648 . . . . 0.0 109.25 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.9 -40.64 89.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -0.95 . . . . 0.0 110.639 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.34 -41.89 98.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.541 -1.349 . . . . 0.0 108.747 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.77 -39.25 88.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.84 . . . . 0.0 109.027 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' B' ' 10' ' ' THR . 23.5 m -52.54 -44.47 65.82 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.506 0.67 . . . . 0.0 110.703 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.99 64.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ttt -71.65 -49.2 42.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.295 -1.503 . . . . 0.0 110.666 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.86 -24.23 63.4 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.58 -0.7 . . . . 0.0 110.596 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.714 ' O ' HG12 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -68.93 -58.75 3.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.12 . . . . 0.0 110.038 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 7.2 mp -48.3 -36.48 14.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.376 -1.452 . . . . 0.0 108.919 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -69.38 -39.91 79.4 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 O-C-N 121.47 -0.769 . . . . 0.0 112.53 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -83.52 -43.74 15.42 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.676 -1.89 . . . . 0.0 113.448 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.714 HG12 ' O ' ' B' ' 10' ' ' THR . 2.2 p -62.23 -41.68 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.404 -1.435 . . . . 0.0 108.975 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.677 ' CD1' HG13 ' B' ' 14' ' ' VAL . 7.7 m-30 -63.2 -39.64 95.21 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.086 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -59.89 -40.01 87.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.18 -55.56 14.67 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.236 -0.915 . . . . 0.0 112.598 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -75.66 -41.26 54.46 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.114 -0.991 . . . . 0.0 111.477 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.0 t -62.07 -23.94 66.8 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.325 -0.859 . . . . 0.0 112.437 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.26 2.25 33.03 Favored Glycine 0 N--CA 1.504 3.206 0 O-C-N 120.732 -1.23 . . . . 0.0 110.092 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.656 ' C ' ' H ' ' B' ' 23' ' ' GLY . 35.7 ttmt -124.67 -75.64 0.6 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.455 -1.026 . . . . 0.0 108.949 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.43 15.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.748 -1.22 . . . . 0.0 110.795 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.656 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -166.45 164.2 37.47 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 31.8 t0 -78.01 162.24 26.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.575 -0.956 . . . . 0.0 108.597 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 27.6 tptp -67.87 83.77 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' B' ' 24' ' ' ASP . 60.9 t80 -146.12 -55.28 0.28 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.999 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -178.49 -176.72 0.51 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tp -86.61 105.45 16.88 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.601 ' H ' ' CD ' ' B' ' 32' ' ' GLU . 67.4 m -70.77 156.08 39.97 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.167 -1.583 . . . . 0.0 108.04 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.431 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 66.3 tttt -43.14 -30.35 0.45 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -25.51 28.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.622 -1.298 . . . . 0.0 109.701 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' B' ' 29' ' ' SER . 36.3 mt-10 -69.97 -42.42 73.15 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.654 -1.279 . . . . 0.0 109.851 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.63 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.7 pp -65.17 -41.6 94.49 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.162 0.982 . . . . 0.0 109.879 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.63 ' N ' HD12 ' B' ' 33' ' ' LEU . 79.2 tttt -61.81 -46.83 87.8 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.538 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 t0 -68.68 -38.61 80.49 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.729 0.776 . . . . 0.0 110.401 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.613 HD23 ' CZ ' ' B' ' 74' ' ' PHE . 27.7 tp -61.07 -39.0 88.22 Favored 'General case' 0 C--N 1.286 -2.188 0 O-C-N 121.474 -0.766 . . . . 0.0 111.273 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -81.54 -48.81 11.33 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.967 -1.083 . . . . 0.0 113.674 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.77 -27.26 68.16 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.102 0.954 . . . . 0.0 111.727 -176.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 97.0 m -59.13 -46.48 88.24 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.027 -175.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -107.69 -15.29 14.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.307 -0.871 . . . . 0.0 111.714 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 mt -131.1 48.12 2.46 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.084 -1.01 . . . . 0.0 109.789 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.501 ' OG ' ' NE2' ' B' ' 48' ' ' GLN . 45.2 t -62.92 -50.26 71.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.766 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.5 t -64.18 -40.01 95.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.798 . . . . 0.0 111.531 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.556 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.4 t80 -87.7 -87.77 0.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.598 -1.314 . . . . 0.0 112.12 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.559 HD11 HD22 ' B' ' 81' ' ' LEU . 0.2 OUTLIER -31.06 141.01 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.859 0 CA-C-O 116.85 -1.547 . . . . 0.0 108.326 -174.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' Y' ' 7' ' ' TRP . 48.3 m-20 -88.97 116.82 27.54 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 125.055 3.571 . . . . 0.0 108.712 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.402 HG12 ' N ' ' B' ' 48' ' ' GLN . 76.1 t -146.51 -82.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.076 -1.015 . . . . 0.0 110.223 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.501 ' NE2' ' OG ' ' B' ' 42' ' ' SER . 12.7 pt20 -63.56 -41.68 98.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.547 -0.72 . . . . 0.0 112.027 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -60.56 -39.5 88.2 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.893 -1.129 . . . . 0.0 107.976 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 89.6 m-20 -123.48 91.39 3.47 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.63 70.55 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.23 -39.96 88.53 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.06 80.2 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 118.976 -1.09 . . . . 0.0 109.502 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -37.73 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.634 -1.291 . . . . 0.0 108.952 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.431 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.3 m-20 -64.47 -42.41 95.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 0.0 110.899 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.52 -40.0 94.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.047 -1.033 . . . . 0.0 109.619 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.613 HD11 ' OD1' ' Y' ' 8' ' ' ASN . 5.6 mm -65.99 -56.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.861 -0.524 . . . . 0.0 111.745 -178.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -62.67 -36.24 82.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.998 -1.064 . . . . 0.0 111.395 -177.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -59.95 -42.41 94.0 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.33 -21.92 62.62 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 63' ' ' GLU . 34.0 mt -97.84 -25.5 15.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.584 -0.698 . . . . 0.0 110.322 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' B' ' 58' ' ' MET . 13.5 t0 -72.97 50.12 0.26 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' B' ' 61' ' ' LEU . 93.5 mt-10 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.059 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -78.44 -21.04 49.75 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.01 39.24 28.26 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 106.899 -2.48 . . . . 0.0 106.899 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.441 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 33.1 p-10 -94.21 -12.51 28.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.663 -0.904 . . . . 0.0 112.064 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.8 80.94 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.774 -1.204 . . . . 0.0 110.992 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 38.1 mp0 -138.04 178.21 7.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.508 -1.584 . . . . 0.0 107.842 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -121.36 132.11 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 0.0 109.422 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' B' ' 73' ' ' GLU . 29.8 t0 -95.88 147.7 23.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.127 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 13.2 t80 -46.25 -27.23 0.96 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.595 -0.691 . . . . 0.0 109.476 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.52 ' O ' HG23 ' B' ' 76' ' ' VAL . 94.0 mt-30 -77.61 -28.94 51.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.9 -1.125 . . . . 0.0 108.79 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-10 -83.67 -45.96 12.84 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.266 1.032 . . . . 0.0 108.916 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.613 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 31.9 t80 -60.5 -49.81 76.07 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.76 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.758 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.7 t -61.26 -40.01 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.519 -0.738 . . . . 0.0 110.741 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 72' ' ' GLN . 46.6 t -55.88 -30.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 O-C-N 120.661 -1.274 . . . . 0.0 108.76 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 77' ' ' LEU . 0.5 OUTLIER -79.03 -56.23 4.54 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.369 -0.832 . . . . 0.0 112.796 -177.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.429 ' H ' HG13 ' B' ' 78' ' ' VAL . 3.5 m -51.18 -33.81 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.412 -1.43 . . . . 0.0 109.197 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.755 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.651 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.417 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -76.51 -24.7 53.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.559 HD22 HD11 ' B' ' 45' ' ' LEU . 2.7 pp -83.15 -39.97 20.34 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 119.719 -1.863 . . . . 0.0 109.827 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.421 ' N ' ' HG ' ' B' ' 81' ' ' LEU . 2.2 t -60.04 -42.16 93.84 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 8.8 m -58.58 -39.82 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.404 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -70.04 -25.5 63.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.52 -39.95 80.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.222 -0.924 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.93 -39.89 87.01 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.303 -0.873 . . . . 0.0 109.261 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.07 -39.87 87.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.863 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.543 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 6.1 t80 -89.06 -5.33 57.95 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.066 -1.021 . . . . 0.0 109.648 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 27.7 t80 -90.0 -3.98 57.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.071 -1.018 . . . . 0.0 108.926 179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.4 t90 . . . . . 0 N--CA 1.489 1.485 0 O-C-N 121.524 -0.735 . . . . 0.0 109.568 -179.276 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 50.7 pt . . . . . 0 N--CA 1.502 2.153 0 N-CA-C 110.645 -0.131 . . . . 0.0 110.645 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 5.6 p-10 37.92 24.76 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.423 -0.798 . . . . 0.0 110.559 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.693 ' O ' HG22 ' X' ' 10' ' ' ILE . 46.3 t90 -60.94 -52.79 63.52 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.874 -1.141 . . . . 0.0 110.493 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.418 ' CB ' ' OD1' ' A' ' 46' ' ' ASP . 1.7 t30 -52.44 -29.51 24.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 119.578 -1.951 . . . . 0.0 108.263 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -54.82 -24.95 25.22 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.693 HG22 ' O ' ' X' ' 7' ' ' TRP . 4.0 tt -53.55 -38.3 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.462 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 38.4 tp -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.146 179.597 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.501 ' CG1' ' O ' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.932 0 CA-C-O 122.424 1.107 . . . . 0.0 109.604 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -123.78 28.11 7.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.841 -1.162 . . . . 0.0 107.972 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.711 ' O ' HG22 ' Y' ' 10' ' ' ILE . 7.7 p-90 -58.07 -44.42 87.5 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.817 -1.177 . . . . 0.0 109.032 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.512 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 12.4 t-20 -51.24 -28.64 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 119.857 -1.777 . . . . 0.0 107.952 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -58.09 -26.12 62.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.711 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -49.79 -39.88 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 177.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 29.2 tp -70.16 -39.95 75.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.704 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 1.4 p . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.958 0 N-CA-C 119.308 2.483 . . . . 0.0 119.308 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -107.02 -104.41 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.752 -1.44 . . . . 0.0 110.162 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.91 -42.71 94.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.715 -1.241 . . . . 0.0 111.76 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.97 -41.18 74.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.696 -1.252 . . . . 0.0 111.138 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -67.07 -37.08 83.37 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.22 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -59.87 -47.13 86.99 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.08 -27.23 64.45 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 8' ' ' MET . 3.6 ppp? -75.87 -44.62 39.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 119.97 -1.707 . . . . 0.0 109.849 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.44 -36.39 71.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.274 -0.891 . . . . 0.0 110.864 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -61.5 -54.93 36.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.476 -1.39 . . . . 0.0 109.772 -178.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 10' ' ' THR . 9.0 mp -47.92 -40.24 21.41 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.269 -1.519 . . . . 0.0 108.276 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.71 -27.93 43.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 O-C-N 120.772 -1.205 . . . . 0.0 109.346 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 10' ' ' THR . 59.5 t-20 -76.26 -56.18 4.88 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.14 -0.975 . . . . 0.0 112.069 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 2.5 p -62.21 -46.11 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.503 -0.748 . . . . 0.0 110.389 -178.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.493 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 19.6 m-85 -59.98 -40.13 88.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.258 -0.901 . . . . 0.0 109.899 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -59.98 -38.65 83.16 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.023 -1.673 . . . . 0.0 109.909 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.48 21.64 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.411 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 87.4 m-70 -82.98 -41.68 18.48 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.678 -1.263 . . . . 0.0 111.637 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -60.43 -33.98 73.31 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.12 10.21 58.25 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 120.784 -1.198 . . . . 0.0 111.028 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -122.95 -70.81 0.75 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.301 -1.117 . . . . 0.0 110.003 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 70.2 mm-40 -78.6 51.17 1.04 Allowed 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.764 -1.21 . . . . 0.0 109.338 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.98 -142.49 7.26 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.63 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 68' ' ' GLU . 96.2 m-20 -83.6 158.33 21.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.757 -0.849 . . . . 0.0 110.927 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -51.97 -59.85 3.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.767 -0.583 . . . . 0.0 111.258 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.29 26.56 9.99 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 121.263 -0.898 . . . . 0.0 111.968 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -140.34 146.35 38.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 108.476 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -94.03 165.05 12.83 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.602 -177.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 73.8 m -131.89 162.24 31.1 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.062 -1.024 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -47.5 -38.56 14.14 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.287 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -79.94 -27.26 39.83 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 119.574 -1.954 . . . . 0.0 110.342 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.9 mt-10 -69.23 -40.04 78.19 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 121.168 -0.958 . . . . 0.0 110.374 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 28' ' ' LEU . 3.2 pp -66.9 -40.95 87.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.934 -1.104 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 119.849 -0.741 . . . . 0.0 112.223 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 36' ' ' LEU . 1.9 p30 -81.18 -34.02 32.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.567 -1.333 . . . . 0.0 111.147 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 HG22 ' A' ' 14' ' ' VAL . 26.3 tp -61.75 -51.46 68.23 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.911 -1.118 . . . . 0.0 109.319 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.01 -41.63 74.07 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.954 0.883 . . . . 0.0 111.267 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -69.61 -39.99 76.88 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.768 0.794 . . . . 0.0 111.737 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.5 m -60.12 -49.66 76.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.556 -0.715 . . . . 0.0 111.564 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -99.94 -17.04 17.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.145 -0.972 . . . . 0.0 111.771 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -135.81 57.51 1.78 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.843 -1.161 . . . . 0.0 110.332 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.5 p -70.0 -42.11 73.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.254 -0.904 . . . . 0.0 110.107 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.8 t -72.33 -43.89 63.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.384 -0.822 . . . . 0.0 111.984 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.582 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -81.8 -105.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.513 -1.367 . . . . 0.0 111.127 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.779 HD11 HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -9.13 129.51 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 0 CA-C-O 115.036 -2.411 . . . . 0.0 109.257 178.009 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.579 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 55.5 p-10 -91.44 110.09 21.39 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-N 127.807 4.821 . . . . 0.0 110.313 177.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.501 HG23 ' N ' ' A' ' 48' ' ' GLN . 11.5 m -144.79 -41.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.22 -1.55 . . . . 0.0 110.754 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.501 ' N ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -96.77 -44.13 7.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.02 -1.05 . . . . 0.0 111.581 -177.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -66.41 -19.14 65.72 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.919 -1.113 . . . . 0.0 108.122 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.28 88.11 2.19 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.87 78.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.422 -0.799 . . . . 0.0 109.027 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.82 -39.89 86.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.69 -40.07 78.64 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.458 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -38.27 82.16 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 O-C-N 120.803 -1.185 . . . . 0.0 108.853 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.825 -1.172 . . . . 0.0 109.383 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -64.43 -40.12 95.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.322 -0.861 . . . . 0.0 109.478 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.7 mt -67.71 -56.11 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.693 -0.63 . . . . 0.0 111.644 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -39.46 86.73 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.906 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.54 91.08 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.56 -28.51 69.69 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.3 mt -86.74 -29.73 22.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.498 -0.752 . . . . 0.0 110.528 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 12.5 t0 -70.69 50.33 0.13 Allowed 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 61' ' ' LEU . 99.8 mt-10 -59.75 -39.92 86.38 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.6 -19.28 62.86 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.16 32.4 23.23 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 11.3 m-20 -93.06 -123.73 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.8 22.14 0.27 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 107.017 -2.433 . . . . 0.0 107.017 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.4 ' OE2' ' OD2' ' A' ' 24' ' ' ASP . 40.0 mt-10 -133.27 175.08 9.72 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.9 t -128.39 130.01 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.879 -1.138 . . . . 0.0 108.048 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.4 168.65 10.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.12 -0.987 . . . . 0.0 108.789 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -32.09 69.68 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -74.54 -29.24 61.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.443 -1.411 . . . . 0.0 109.933 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.426 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 92.4 mt-10 -83.35 -36.85 24.06 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 122.133 0.968 . . . . 0.0 109.385 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.05 -44.24 48.79 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.98 0.895 . . . . 0.0 110.956 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.805 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -60.03 -40.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.984 -177.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 73' ' ' GLU . 10.9 m -61.84 -30.75 49.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.354 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -69.98 -58.22 4.1 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.309 -0.869 . . . . 0.0 111.734 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.511 ' O ' HG22 ' A' ' 82' ' ' THR . 20.8 m -58.7 -31.12 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.192 -0.942 . . . . 0.0 110.07 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.845 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -71.87 -40.13 69.17 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-O 121.82 0.819 . . . . 0.0 111.013 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.95 -26.64 48.93 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -176.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 45' ' ' LEU . 3.0 pp -85.19 -39.59 17.65 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 119.908 -1.745 . . . . 0.0 110.433 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 83' ' ' VAL . 1.7 t -54.02 -49.93 67.79 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.057 -1.027 . . . . 0.0 109.435 178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.52 ' H ' HG23 ' A' ' 82' ' ' THR . 10.4 m -55.68 -40.24 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 CA-C-O 121.891 0.853 . . . . 0.0 108.825 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -65.29 -22.64 66.87 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.653 -0.654 . . . . 0.0 109.821 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.9 t -69.84 -40.01 76.08 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.187 -0.945 . . . . 0.0 110.629 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.608 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.8 OUTLIER -66.4 -40.2 89.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.75 -1.219 . . . . 0.0 109.413 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.608 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 26.3 t-20 -65.62 -37.76 87.5 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.475 -0.766 . . . . 0.0 110.734 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 21.4 t80 -88.61 -6.84 57.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 110.458 -177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -94.99 -19.87 19.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.06 -1.025 . . . . 0.0 109.831 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 81.5 t90 . . . . . 0 N--CA 1.498 1.936 0 O-C-N 121.211 -0.93 . . . . 0.0 110.596 -179.348 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p . . . . . 0 N--CA 1.501 2.089 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.9 -43.0 95.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.646 -1.284 . . . . 0.0 111.583 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.74 -41.23 75.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.795 -1.191 . . . . 0.0 111.425 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.05 -36.66 82.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.611 -1.306 . . . . 0.0 109.357 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 97.3 m -59.91 -47.53 85.41 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.417 -0.802 . . . . 0.0 110.312 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -27.35 64.66 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.5 ppp? -75.36 -45.03 41.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.985 -1.697 . . . . 0.0 109.827 -178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -71.43 -36.51 71.32 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 111.051 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.492 ' O ' ' N ' ' B' ' 13' ' ' ASN . 0.6 OUTLIER -61.06 -55.13 36.28 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.578 -1.326 . . . . 0.0 109.855 -178.724 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.442 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.9 mp -47.96 -40.14 21.4 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.246 -1.534 . . . . 0.0 108.228 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.77 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.78 -1.2 . . . . 0.0 109.391 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 10' ' ' THR . 60.5 t-20 -76.31 -55.98 5.06 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.028 -1.045 . . . . 0.0 112.0 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 2.8 p -62.3 -46.23 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 O-C-N 121.414 -0.804 . . . . 0.0 110.356 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.483 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 19.9 m-85 -59.88 -40.0 87.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.853 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -60.34 -38.44 83.8 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.956 -1.715 . . . . 0.0 109.745 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.09 -56.47 21.75 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.407 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 87.2 m-70 -82.92 -41.7 18.57 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.625 -1.297 . . . . 0.0 111.769 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -60.52 -33.69 73.0 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 10.08 57.77 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.713 -1.242 . . . . 0.0 110.965 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -122.85 -71.09 0.74 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.289 -1.124 . . . . 0.0 109.981 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 32' ' ' GLU . 70.4 mm-40 -78.11 51.04 0.95 Allowed 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.782 -1.199 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.76 -142.35 7.21 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.302 -1.428 . . . . 0.0 111.746 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.35 158.05 22.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.751 -0.852 . . . . 0.0 110.929 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -52.16 -59.9 3.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.678 -0.639 . . . . 0.0 111.018 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -114.9 25.92 10.56 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.244 -0.91 . . . . 0.0 112.019 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -140.16 146.3 38.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.685 -1.259 . . . . 0.0 108.515 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.415 HD21 ' N ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -93.86 165.08 12.85 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.8 -177.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 73.1 m -131.84 162.17 31.2 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.982 -1.074 . . . . 0.0 111.125 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -47.68 -38.27 14.68 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.31 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -80.09 -27.39 39.28 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.639 -1.913 . . . . 0.0 110.34 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 29' ' ' SER . 51.6 mt-10 -69.12 -40.3 78.39 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.093 -1.004 . . . . 0.0 110.199 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.415 ' N ' HD21 ' B' ' 28' ' ' LEU . 3.2 pp -66.71 -41.13 88.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -59.97 -40.09 87.86 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.151 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 1.8 p30 -80.75 -34.04 34.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.654 -1.278 . . . . 0.0 111.377 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.478 HD11 HG22 ' B' ' 14' ' ' VAL . 30.9 tp -61.62 -51.47 68.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.696 -1.252 . . . . 0.0 109.219 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.15 -41.69 73.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.899 0.857 . . . . 0.0 111.223 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -69.53 -40.15 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.787 0.803 . . . . 0.0 111.829 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.6 m -59.87 -49.82 76.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.477 -0.765 . . . . 0.0 111.586 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.81 -17.03 17.86 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.056 -1.028 . . . . 0.0 111.732 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 88.6 mt -135.5 57.61 1.79 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.779 -1.201 . . . . 0.0 110.347 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 99.8 p -69.95 -42.38 73.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 0.0 110.177 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 38.7 t -72.31 -43.19 64.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.823 . . . . 0.0 112.069 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.542 ' O ' ' C ' ' B' ' 45' ' ' LEU . 36.6 t80 -82.82 -92.78 0.07 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.479 -1.388 . . . . 0.0 112.312 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.821 HD11 HD22 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -31.47 136.48 0.05 Allowed 'General case' 0 N--CA 1.515 2.824 0 CA-C-O 116.889 -1.529 . . . . 0.0 107.988 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.539 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 52.6 p-10 -91.28 109.33 20.6 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 124.957 3.526 . . . . 0.0 109.936 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.49 HG23 ' N ' ' B' ' 48' ' ' GLN . 13.3 m -144.92 -40.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.434 -1.416 . . . . 0.0 110.333 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.49 ' N ' HG23 ' B' ' 47' ' ' VAL . 0.0 OUTLIER -97.14 -44.21 7.05 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.15 -0.969 . . . . 0.0 111.65 -178.014 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.44 ' NZ ' HD13 ' Y' ' 5' ' ' ILE . 52.8 mtmt -66.36 -19.39 65.79 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -140.09 88.14 2.2 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.87 77.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.07 -39.84 87.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.53 -41.07 80.16 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 118.871 -1.131 . . . . 0.0 109.236 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -38.39 82.41 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.499 0 O-C-N 120.865 -1.147 . . . . 0.0 109.083 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.87 -40.24 87.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.318 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -64.51 -39.95 94.72 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.97 -55.88 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.686 -0.634 . . . . 0.0 111.664 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -39.66 86.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.2 -0.938 . . . . 0.0 109.869 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -40.48 91.47 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.452 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 79.0 tt0 -65.7 -26.11 67.62 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.0 mt -88.34 -29.78 20.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.457 -0.777 . . . . 0.0 110.286 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 12.8 t0 -71.0 50.82 0.14 Allowed 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.9 mt-10 -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.29 -19.58 63.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.07 32.64 22.89 Favored Glycine 0 N--CA 1.482 1.732 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 11.8 m-20 -93.11 -123.77 0.09 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.47 22.11 0.28 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 106.984 -2.446 . . . . 0.0 106.984 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.22 175.52 9.32 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -96.35 168.59 10.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.189 -0.945 . . . . 0.0 108.666 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -31.74 69.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -74.68 -29.13 61.12 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.349 -1.47 . . . . 0.0 109.901 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 76' ' ' VAL . 93.1 mt-10 -83.55 -36.08 24.27 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 122.206 1.003 . . . . 0.0 109.441 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.86 -44.48 40.51 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 110.855 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.845 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.8 p -59.87 -40.1 81.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.486 -0.759 . . . . 0.0 109.931 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.452 ' N ' HG13 ' B' ' 75' ' ' VAL . 11.5 m -61.71 -30.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.476 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.09 -58.06 4.24 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.322 -0.861 . . . . 0.0 111.781 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.524 ' O ' HG22 ' B' ' 82' ' ' THR . 18.3 m -58.71 -31.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.25 -0.906 . . . . 0.0 110.049 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.805 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -71.71 -40.06 69.73 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.7 0.762 . . . . 0.0 111.003 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.81 -26.77 49.79 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -176.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.821 HD22 HD11 ' B' ' 45' ' ' LEU . 2.9 pp -85.11 -40.08 17.18 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 119.874 -1.766 . . . . 0.0 110.194 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.524 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.8 t -53.82 -49.75 67.69 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.78 -1.2 . . . . 0.0 109.449 178.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.498 ' H ' HG23 ' B' ' 82' ' ' THR . 13.8 m -55.83 -40.31 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.286 -0.884 . . . . 0.0 109.006 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.431 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -65.82 -22.2 66.54 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 0.0 109.637 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 t -69.92 -39.88 75.9 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.536 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.602 ' ND2' ' N ' ' B' ' 87' ' ' ASN . 0.8 OUTLIER -66.27 -40.05 89.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.7 -1.25 . . . . 0.0 109.361 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.602 ' N ' ' ND2' ' B' ' 86' ' ' ASN . 26.4 t-20 -65.98 -37.25 85.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 20.8 t80 -88.68 -6.96 57.12 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.293 -0.88 . . . . 0.0 110.514 -178.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -94.83 -19.9 19.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.045 . . . . 0.0 109.769 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 81.8 t90 . . . . . 0 N--CA 1.497 1.882 0 O-C-N 121.154 -0.966 . . . . 0.0 110.635 -179.325 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.473 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.1 pt . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -116.57 14.15 15.43 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.247 -0.908 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.683 ' O ' HG22 ' X' ' 10' ' ' ILE . 41.9 t90 -60.12 -51.08 71.12 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.971 -1.081 . . . . 0.0 110.842 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.646 ' OD1' HD22 ' A' ' 81' ' ' LEU . 2.2 t30 -52.07 -32.41 34.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 119.763 -1.835 . . . . 0.0 108.111 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' X' ' 12' ' ' SER . 23.8 ttpp -61.66 -24.48 66.77 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.683 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -48.78 -38.07 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.419 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.0 tp -68.54 -39.96 80.9 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.528 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.3 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.211 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.501 2.112 0 CA-C-O 122.214 1.007 . . . . 0.0 109.291 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -105.77 17.2 24.09 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.704 -1.247 . . . . 0.0 108.782 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.705 ' O ' HG22 ' Y' ' 10' ' ' ILE . 49.9 t90 -60.07 -49.97 75.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.548 -0.72 . . . . 0.0 110.734 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.654 ' CG ' HD11 ' B' ' 57' ' ' ILE . 11.9 t-20 -52.23 -37.17 54.41 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 119.918 -1.739 . . . . 0.0 108.987 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' Y' ' 12' ' ' SER . 28.1 ttmt -56.36 -24.7 45.93 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.705 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.33 -31.99 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' B' ' 80' ' ' ALA . 0.8 OUTLIER -63.7 -40.9 97.93 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.715 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . 0.43 ' O ' ' O ' ' Y' ' 9' ' ' LYS . 54.5 p . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.36 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.49 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.79 0 N-CA-C 119.545 2.578 . . . . 0.0 119.545 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -75.24 165.4 25.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.104 -1.233 . . . . 0.0 108.963 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 39.9 mp0 -59.99 -43.04 95.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.153 -0.967 . . . . 0.0 111.177 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.94 -39.97 93.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.356 -1.465 . . . . 0.0 110.124 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 98.7 mt-10 -64.27 -33.13 75.1 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.864 -1.148 . . . . 0.0 109.438 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.91 -45.4 92.69 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.842 0.829 . . . . 0.0 109.858 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.67 -32.05 70.46 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -71.74 -49.72 36.62 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.98 -36.02 74.87 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.693 -0.63 . . . . 0.0 111.481 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.83 -54.7 34.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.787 -1.195 . . . . 0.0 110.086 -178.652 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.7 mp -47.83 -39.79 19.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.468 -1.395 . . . . 0.0 108.506 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.8 -40.08 86.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.443 -0.786 . . . . 0.0 112.041 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.06 -49.09 12.27 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.886 -1.758 . . . . 0.0 112.731 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -61.33 -37.48 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.548 -1.345 . . . . 0.0 108.823 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 4.8 m-30 -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.12 -32.99 74.76 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.222 -0.924 . . . . 0.0 110.762 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.98 62.33 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.013 -1.055 . . . . 0.0 112.159 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -80.26 -43.35 21.51 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.065 -1.022 . . . . 0.0 111.652 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -60.03 -24.6 64.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.89 5.41 61.71 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 120.493 -1.379 . . . . 0.0 112.326 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -122.74 -61.97 1.4 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 119.335 1.567 . . . . 0.0 110.168 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.94 41.07 1.03 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.862 -1.149 . . . . 0.0 110.49 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.69 -152.99 9.3 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.387 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.02 161.88 18.74 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -54.79 -50.03 69.5 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.21 -0.931 . . . . 0.0 111.657 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 26' ' ' TYR . 84.6 t80 -116.86 23.74 11.72 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.647 -1.283 . . . . 0.0 112.605 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -137.11 144.39 43.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.356 -1.465 . . . . 0.0 109.223 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -92.09 163.14 14.07 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.579 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.9 p -132.12 164.38 26.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.123 -0.986 . . . . 0.0 110.48 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -48.69 -39.96 26.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.353 -0.842 . . . . 0.0 111.573 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' NZ ' ' CB ' ' A' ' 31' ' ' LYS . 1.7 ttpm? -78.56 -29.64 46.39 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.737 -1.852 . . . . 0.0 110.056 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HB2' ' H ' ' A' ' 29' ' ' SER . 59.1 mt-10 -69.96 -40.03 75.65 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 111.298 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.65 -41.7 99.19 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.321 -1.487 . . . . 0.0 109.177 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -64.06 -39.96 95.22 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.14 -0.975 . . . . 0.0 112.741 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.39 -43.77 48.32 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.808 -1.182 . . . . 0.0 112.449 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.13 -48.28 80.8 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.345 -0.847 . . . . 0.0 110.689 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.83 HD12 HD22 ' A' ' 45' ' ' LEU . 3.7 mm? -70.63 -48.73 53.58 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 39' ' ' THR . 11.5 pt20 -63.93 -39.99 95.43 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.878 0.846 . . . . 0.0 112.749 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 95.8 m -56.74 -44.17 81.43 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.34 -176.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -99.49 -15.13 18.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.29 -0.881 . . . . 0.0 111.004 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 mt -135.41 43.37 2.64 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.059 -1.026 . . . . 0.0 108.866 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.489 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -60.2 -52.06 66.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.349 -0.845 . . . . 0.0 110.683 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -68.74 -37.22 79.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.389 -0.819 . . . . 0.0 111.474 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 45' ' ' LEU . 39.8 t80 -82.81 -108.81 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.678 -1.264 . . . . 0.0 111.652 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.83 HD22 HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -9.96 132.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.958 0 CA-C-O 115.293 -2.289 . . . . 0.0 110.087 177.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.473 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 57.2 t0 -91.23 111.73 23.33 Favored 'General case' 0 N--CA 1.522 3.125 1 CA-C-N 127.404 4.638 . . . . 0.0 109.641 176.168 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 48' ' ' GLN . 22.5 m -141.18 -43.43 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.697 -1.252 . . . . 0.0 110.114 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.52 ' N ' HG23 ' A' ' 47' ' ' VAL . 6.8 mm100 -90.78 -54.41 3.99 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.02 -1.05 . . . . 0.0 111.925 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.513 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -50.0 -60.03 3.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.816 -1.177 . . . . 0.0 108.201 -178.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -97.53 93.95 6.73 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.23 82.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 108.459 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -57.97 -35.33 71.02 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.08 94.84 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.499 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -32.48 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 108.562 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 56.8 t0 -67.19 -40.06 86.46 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.024 -1.048 . . . . 0.0 110.197 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.77 -39.97 79.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.235 -0.916 . . . . 0.0 109.943 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.587 HD11 HD22 ' X' ' 8' ' ' ASN . 97.6 mt -69.12 -57.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.672 0.749 . . . . 0.0 111.159 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER -61.86 -38.25 87.53 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.573 0.701 . . . . 0.0 110.416 -178.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -60.12 -46.62 89.03 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.41 -27.26 67.7 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 73' ' ' GLU . 13.3 tp -79.41 -39.96 31.14 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.892 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 88.5 m-20 -69.04 58.63 0.1 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -59.98 -40.05 87.8 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.888 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -73.53 -20.07 60.74 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.96 51.95 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -94.34 -4.9 47.74 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.364 -1.08 . . . . 0.0 112.09 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.63 8.16 75.95 Favored Glycine 0 N--CA 1.502 3.067 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -134.17 175.29 9.62 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 t -128.52 129.89 68.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.616 -1.302 . . . . 0.0 108.504 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.3 t0 -92.61 163.94 13.6 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 53.4 t80 -58.65 -33.81 70.5 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.495 -0.753 . . . . 0.0 108.975 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 tm0? -70.4 -31.26 68.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.978 -1.076 . . . . 0.0 109.382 178.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.725 ' O ' HD11 ' A' ' 61' ' ' LEU . 42.4 mt-10 -78.74 -49.35 13.21 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.978 0.895 . . . . 0.0 109.777 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.4 84.49 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.361 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.651 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.2 t -59.27 -35.5 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.3 -1.5 . . . . 0.0 109.363 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.3 t -59.95 -34.97 58.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.407 HD12 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -60.04 -58.26 9.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.619 -0.676 . . . . 0.0 112.203 -178.455 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 82' ' ' THR . 12.4 m -59.9 -39.81 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 O-C-N 121.397 -0.815 . . . . 0.0 111.091 -178.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -62.52 -39.93 95.14 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.159 -0.963 . . . . 0.0 110.201 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -76.51 -24.71 53.72 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.646 HD22 ' OD1' ' X' ' 8' ' ' ASN . 95.5 mt -86.33 -40.08 15.82 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 119.674 -1.891 . . . . 0.0 110.442 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.512 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 5.0 t -59.16 -40.49 85.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.712 -1.242 . . . . 0.0 109.256 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 18.7 m -60.0 -40.02 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.908 -1.12 . . . . 0.0 109.239 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.546 ' HB3' ' CZ2' ' X' ' 7' ' ' TRP . . . -60.02 -25.53 65.37 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.3 p -76.85 -40.14 48.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.123 -0.986 . . . . 0.0 109.812 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.478 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 53.7 t-20 -60.46 -40.13 90.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.0 109.205 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.89 -40.04 95.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.014 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.486 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 71.0 t80 -84.19 -1.62 55.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.545 -0.722 . . . . 0.0 109.263 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.497 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 64.5 t80 -83.19 -10.07 58.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.461 -0.775 . . . . 0.0 109.852 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 . . . . . 0 N--CA 1.492 1.626 0 O-C-N 121.058 -1.026 . . . . 0.0 109.476 -179.41 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 39.8 mp0 -59.99 -42.87 95.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 111.296 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.1 -40.02 94.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.417 -1.427 . . . . 0.0 110.088 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -64.04 -33.24 75.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.926 -1.109 . . . . 0.0 109.536 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.7 m -60.0 -45.13 93.75 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.873 0.844 . . . . 0.0 109.973 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -31.87 69.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -71.69 -49.72 36.96 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.604 -1.31 . . . . 0.0 110.657 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.99 -36.4 75.14 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 121.747 -0.595 . . . . 0.0 111.493 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.5 -54.83 34.11 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 110.097 -178.723 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.7 mp -47.91 -39.5 19.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.431 -1.418 . . . . 0.0 108.609 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -65.99 -40.0 86.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.515 -0.741 . . . . 0.0 112.056 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -80.11 -49.04 12.28 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 119.931 -1.731 . . . . 0.0 112.802 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.39 -37.56 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.557 -1.339 . . . . 0.0 108.792 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.64 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 4.9 m-30 -59.91 -39.82 86.72 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.19 -32.84 74.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.176 -0.952 . . . . 0.0 110.675 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.12 -53.07 61.45 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.964 -1.085 . . . . 0.0 112.153 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -80.15 -43.51 21.51 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.079 -1.013 . . . . 0.0 111.717 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 p -59.94 -24.61 64.51 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.86 5.2 61.64 Favored Glycine 0 N--CA 1.5 2.922 0 O-C-N 120.547 -1.345 . . . . 0.0 112.27 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -122.75 -61.72 1.42 Allowed 'General case' 0 N--CA 1.505 2.302 0 CA-C-N 119.385 1.592 . . . . 0.0 110.2 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -90.06 40.73 1.02 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.83 -1.168 . . . . 0.0 110.461 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.42 -152.74 9.05 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.408 -1.377 . . . . 0.0 110.463 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -85.97 161.86 18.8 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.86 -49.99 69.76 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.225 -0.922 . . . . 0.0 111.688 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' B' ' 26' ' ' TYR . 84.2 t80 -116.67 23.35 12.06 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.618 -1.301 . . . . 0.0 112.708 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -137.07 144.21 43.03 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.286 -1.509 . . . . 0.0 109.237 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tp -91.82 163.17 14.15 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.573 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 91.1 p -132.06 164.49 26.12 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.102 -0.999 . . . . 0.0 110.524 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.422 ' HG3' ' HZ2' ' B' ' 30' ' ' LYS . 23.0 tptp -48.86 -39.97 27.78 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.326 -0.859 . . . . 0.0 111.446 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.426 ' NZ ' ' CB ' ' B' ' 31' ' ' LYS . 1.8 ttpm? -78.54 -29.55 46.48 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 119.742 -1.849 . . . . 0.0 110.105 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.573 ' HB2' ' H ' ' B' ' 29' ' ' SER . 59.1 mt-10 -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.072 -1.017 . . . . 0.0 111.222 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.71 -41.66 99.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.343 -1.473 . . . . 0.0 109.126 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.98 -40.06 95.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.159 -0.963 . . . . 0.0 112.745 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -75.43 -43.7 48.37 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.768 -1.207 . . . . 0.0 112.442 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.23 -48.19 81.08 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.313 -0.867 . . . . 0.0 110.651 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.794 HD12 HD22 ' B' ' 45' ' ' LEU . 3.7 mm? -70.83 -48.7 52.6 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' B' ' 39' ' ' THR . 11.5 pt20 -63.67 -40.05 95.87 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.919 0.866 . . . . 0.0 112.775 -176.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.2 m -56.81 -44.54 82.09 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.328 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -99.13 -15.22 19.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -135.32 43.31 2.66 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.034 -1.041 . . . . 0.0 108.837 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.479 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -60.21 -52.08 66.82 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.627 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 26.3 t -69.04 -36.45 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 0.0 111.445 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.6 t80 -83.84 -94.57 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.734 -1.229 . . . . 0.0 113.141 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.794 HD22 HD12 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -34.22 140.12 0.07 Allowed 'General case' 0 N--CA 1.508 2.453 0 CA-C-O 117.139 -1.41 . . . . 0.0 108.804 -174.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.9 t0 -91.26 110.99 22.29 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 124.658 3.39 . . . . 0.0 109.122 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.517 HG23 ' N ' ' B' ' 48' ' ' GLN . 22.8 m -141.29 -42.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.989 -1.069 . . . . 0.0 109.807 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.517 ' N ' HG23 ' B' ' 47' ' ' VAL . 6.9 mm100 -91.09 -54.62 3.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.163 -0.961 . . . . 0.0 111.968 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.492 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -49.93 -60.02 3.32 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.77 -1.206 . . . . 0.0 108.318 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.51 93.88 6.7 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.24 81.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 0.0 108.412 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -57.8 -35.76 71.27 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.94 95.22 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.279 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -32.7 53.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.957 -1.089 . . . . 0.0 108.723 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' B' ' 55' ' ' ASP . 56.7 t0 -67.02 -40.0 87.15 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.015 -1.053 . . . . 0.0 110.164 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.66 -39.88 80.46 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.96 0.886 . . . . 0.0 110.017 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.654 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 96.6 mt -69.35 -56.95 9.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 CA-C-O 121.677 0.751 . . . . 0.0 111.23 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.7 OUTLIER -61.84 -38.39 88.01 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.566 0.698 . . . . 0.0 110.431 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -59.92 -46.77 88.31 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -67.34 -24.64 65.74 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.73 HD11 ' O ' ' B' ' 73' ' ' GLU . 13.5 tp -81.62 -39.79 23.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.635 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 58' ' ' MET . 88.3 m-20 -69.11 58.6 0.1 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -60.0 -40.07 87.95 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.851 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -73.6 -20.06 60.71 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.91 52.06 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -94.3 -4.97 47.74 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.319 -1.107 . . . . 0.0 112.005 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.6 8.36 76.27 Favored Glycine 0 N--CA 1.501 2.984 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.28 175.3 9.63 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.29 129.92 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.576 -1.328 . . . . 0.0 108.499 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.3 t0 -92.57 163.92 13.62 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 53.3 t80 -58.65 -33.84 70.54 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.524 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.4 tm0? -70.26 -31.4 68.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.956 -1.09 . . . . 0.0 109.38 178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.73 ' O ' HD11 ' B' ' 61' ' ' LEU . 42.7 mt-10 -78.73 -49.35 13.23 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 122.025 0.916 . . . . 0.0 109.798 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.64 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.53 83.9 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.346 -178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.666 HG12 ' HB1' ' A' ' 79' ' ' ALA . 51.0 t -59.32 -35.15 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.327 -1.483 . . . . 0.0 109.404 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.2 t -59.96 -35.07 58.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 119.057 -1.057 . . . . 0.0 108.171 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -58.32 9.05 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 121.473 0.654 . . . . 0.0 112.144 -178.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.436 ' O ' HG22 ' B' ' 82' ' ' THR . 12.5 m -59.99 -39.8 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.495 -0.753 . . . . 0.0 111.055 -178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.651 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -62.43 -39.98 95.09 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.104 -0.998 . . . . 0.0 110.239 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' Y' ' 11' ' ' LEU . . . -76.4 -24.51 54.07 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.464 ' CD1' HD21 ' Y' ' 8' ' ' ASN . 94.2 mt -86.55 -39.98 15.67 Favored 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.58 -1.95 . . . . 0.0 110.509 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 4.9 t -59.13 -40.65 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.779 -1.201 . . . . 0.0 109.201 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 18.7 m -59.97 -39.96 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.979 -1.076 . . . . 0.0 109.244 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.547 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -60.08 -25.64 65.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.4 p -76.75 -40.09 49.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.16 -0.963 . . . . 0.0 109.971 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.484 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 54.3 t-20 -60.44 -40.2 90.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.73 -39.96 95.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.32 -0.862 . . . . 0.0 109.004 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 71.0 t80 -84.2 -1.52 55.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.549 -0.719 . . . . 0.0 109.326 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' B' ' 89' ' ' PHE . 64.8 t80 -83.35 -10.02 58.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.379 -0.826 . . . . 0.0 109.793 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 109.388 -179.46 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.442 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 1.3 pt . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -121.85 32.03 6.01 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.666 ' O ' HG22 ' X' ' 10' ' ' ILE . 55.0 t90 -59.95 -49.98 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.63 -0.669 . . . . 0.0 111.732 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.768 ' OD1' HD11 ' A' ' 57' ' ' ILE . 34.2 t-20 -54.9 -33.49 62.12 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.304 -1.497 . . . . 0.0 109.035 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . 0.407 ' O ' ' OXT' ' X' ' 12' ' ' SER . 82.1 tttt -59.89 -27.08 66.41 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.666 HG22 ' O ' ' X' ' 7' ' ' TRP . 3.0 tt -54.44 -34.45 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.478 HD13 ' O ' ' X' ' 11' ' ' LEU . 0.3 OUTLIER -60.03 -49.94 75.68 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . 0.407 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 53.6 p . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.9 -1.047 . . . . 0.0 109.702 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.468 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 2.5 pt . . . . . 0 N--CA 1.498 1.955 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 95.7 m-20 -114.62 27.31 9.54 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.063 -1.023 . . . . 0.0 110.351 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.651 ' O ' HG22 ' Y' ' 10' ' ' ILE . 41.7 t90 -60.31 -55.13 37.38 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.015 -1.053 . . . . 0.0 112.868 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.788 ' OD1' HD11 ' B' ' 57' ' ' ILE . 35.1 t-20 -52.13 -35.74 49.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 119.866 -1.771 . . . . 0.0 109.198 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -59.9 -24.72 64.52 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.651 HG22 ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -53.32 -38.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.1 tp -68.9 -40.07 79.36 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.505 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.488 -179.546 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.636 2.614 . . . . 0.0 119.636 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -103.16 34.6 2.84 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.417 -1.049 . . . . 0.0 109.536 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.23 -40.09 94.97 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.338 -0.851 . . . . 0.0 111.775 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -43.32 99.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.142 -1.599 . . . . 0.0 109.606 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.97 -34.18 76.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.026 -1.047 . . . . 0.0 109.615 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.8 -45.72 91.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.37 -0.831 . . . . 0.0 110.104 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.33 66.13 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.764 -0.585 . . . . 0.0 111.837 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 ttt -71.55 -48.83 46.08 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.468 -1.395 . . . . 0.0 110.28 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.07 -33.39 71.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.552 -0.718 . . . . 0.0 111.266 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.22 -55.79 14.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 118.477 -1.289 . . . . 0.0 109.926 -178.721 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -45.56 -38.13 6.14 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.447 -1.408 . . . . 0.0 108.597 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.71 -39.97 83.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.372 -0.83 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.32 -43.01 64.78 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.467 -1.396 . . . . 0.0 112.797 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.511 HG13 ' HD1' ' A' ' 15' ' ' PHE . 11.0 p -71.01 -39.82 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.647 -1.283 . . . . 0.0 109.95 -178.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.643 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.3 m-30 -60.13 -40.52 90.08 Favored 'General case' 0 C--N 1.291 -1.943 0 O-C-N 121.826 -0.546 . . . . 0.0 110.155 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.479 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 2.8 p-80 -73.28 -24.23 60.4 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.152 -1.593 . . . . 0.0 110.433 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.57 -53.7 54.99 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.983 -1.073 . . . . 0.0 110.925 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.689 ' CD2' HD21 ' A' ' 36' ' ' LEU . 19.5 m-70 -83.31 -41.27 18.46 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.234 -0.916 . . . . 0.0 111.077 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ASP . 9.7 t -56.83 -28.4 61.53 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.252 -0.905 . . . . 0.0 112.792 -178.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.4 9.56 71.75 Favored Glycine 0 N--CA 1.497 2.764 0 O-C-N 120.513 -1.367 . . . . 0.0 111.138 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -124.24 -62.94 1.24 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 118.873 1.337 . . . . 0.0 109.84 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 34.1 mp0 -88.82 18.52 4.71 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.788 -1.195 . . . . 0.0 110.621 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.563 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -152.02 -155.31 6.97 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 19' ' ' SER . 92.9 m-20 -86.78 168.56 13.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -1.187 . . . . 0.0 108.455 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -57.59 -49.33 76.75 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.349 -0.845 . . . . 0.0 112.012 -177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -118.55 24.75 10.72 Favored 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.514 -1.367 . . . . 0.0 111.499 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -140.01 146.91 39.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.857 -1.152 . . . . 0.0 108.698 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -94.24 164.27 13.11 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.124 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.51 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.9 m -129.46 158.69 38.5 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.401 -0.812 . . . . 0.0 109.801 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -48.01 -40.1 21.69 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -75.12 -23.71 57.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 119.579 -1.95 . . . . 0.0 109.809 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.563 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 81.5 mt-10 -76.3 -42.74 44.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 111.527 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.5 pp -59.86 -47.11 87.08 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 118.408 -1.317 . . . . 0.0 109.2 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.554 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.0 tttt -61.12 -40.04 92.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.755 -0.591 . . . . 0.0 111.505 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 39' ' ' THR . 89.8 m-20 -66.33 -42.56 88.02 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.919 -1.113 . . . . 0.0 113.966 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.689 HD21 ' CD2' ' A' ' 18' ' ' HIS . 61.2 mt -70.02 -40.04 75.44 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 119.381 -2.074 . . . . 0.0 110.597 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -64.52 -51.83 60.89 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.453 0.644 . . . . 0.0 112.496 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.696 HE21 ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -66.02 -37.27 85.45 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.854 0.835 . . . . 0.0 111.887 -178.277 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.441 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 93.0 m -54.85 -45.88 74.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.856 -0.527 . . . . 0.0 111.232 -175.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.0 mt-10 -100.53 -12.53 19.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.135 -0.978 . . . . 0.0 111.617 -177.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.93 47.49 2.35 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.988 -1.07 . . . . 0.0 109.421 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 57.8 m -60.16 -48.55 81.27 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 110.529 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.8 p -69.96 -39.74 75.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.356 -0.84 . . . . 0.0 111.786 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -84.61 -106.77 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.838 -1.164 . . . . 0.0 111.952 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -8.88 125.9 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.066 0 CA-C-O 114.79 -2.528 . . . . 0.0 109.322 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 49.1 t0 -90.44 109.23 20.36 Favored 'General case' 0 N--CA 1.521 3.113 1 CA-C-N 128.068 4.94 . . . . 0.0 110.183 178.109 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -143.45 -46.39 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 120.764 -1.21 . . . . 0.0 110.391 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.696 ' NE2' HE21 ' A' ' 38' ' ' GLN . 88.5 mt-30 -77.5 -47.23 20.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.821 -1.174 . . . . 0.0 111.494 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 1.1 mmtt -57.54 -57.54 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.71 89.56 4.98 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.08 65.38 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.03 -37.9 81.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 118.871 -1.132 . . . . 0.0 109.684 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -35.23 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.555 -1.34 . . . . 0.0 108.331 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.55 -40.02 94.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.97 -1.081 . . . . 0.0 110.489 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.59 -40.08 88.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.044 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.768 HD11 ' OD1' ' X' ' 8' ' ' ASN . 4.6 mm -69.9 -53.78 22.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.682 0.753 . . . . 0.0 110.753 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 tpt -60.87 -39.84 90.7 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.05 0.453 . . . . 0.0 111.271 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -45.58 93.66 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.53 -28.92 66.43 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.728 HD11 ' O ' ' A' ' 73' ' ' GLU . 14.2 tp -74.21 -41.7 60.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.682 -0.636 . . . . 0.0 110.046 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 61.76 0.21 Allowed 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 61' ' ' LEU . 99.9 mt-10 -60.05 -40.0 87.88 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.75 -19.2 61.42 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.98 35.57 49.52 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -96.52 -4.62 41.07 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.397 -1.061 . . . . 0.0 111.846 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.01 9.66 76.43 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -134.63 175.8 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -129.69 131.01 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 120.26 -1.525 . . . . 0.0 110.649 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.67 162.07 13.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.495 ' CD1' HG12 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -55.34 -39.67 70.31 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.139 -0.975 . . . . 0.0 109.145 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -65.61 -28.61 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.74 -1.85 . . . . 0.0 109.546 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.728 ' O ' HD11 ' A' ' 61' ' ' LEU . 90.5 mt-10 -83.16 -49.98 8.92 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.813 0.816 . . . . 0.0 109.862 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 1.3 t80 -60.1 -49.05 79.18 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.633 0.73 . . . . 0.0 111.414 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.613 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -59.99 -36.88 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 110.833 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -57.81 -29.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.151 -0.968 . . . . 0.0 108.415 179.126 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.5 HD12 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -67.93 -59.4 3.31 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 121.702 0.763 . . . . 0.0 112.486 -177.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 82' ' ' THR . 26.1 m -61.62 -37.25 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 CA-C-O 121.695 0.759 . . . . 0.0 110.745 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -66.75 -41.19 88.21 Favored 'General case' 0 C--N 1.287 -2.147 0 O-C-N 121.713 -0.617 . . . . 0.0 111.631 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.6 -25.28 53.74 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 113.031 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 mt -78.64 -53.23 7.4 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 119.753 -1.842 . . . . 0.0 109.939 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.589 HG23 ' H ' ' A' ' 83' ' ' VAL . 3.1 t -45.55 -53.22 9.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.278 -0.889 . . . . 0.0 110.697 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.589 ' H ' HG23 ' A' ' 82' ' ' THR . 16.1 m -52.46 -41.17 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.979 -1.076 . . . . 0.0 109.521 178.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.52 -25.12 65.87 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 t -71.43 -41.72 69.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.65 -39.97 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.376 -0.828 . . . . 0.0 109.656 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.458 -0.776 . . . . 0.0 110.232 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.57 -0.32 57.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.946 -1.096 . . . . 0.0 109.604 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -83.56 -13.91 53.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 108.824 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . 0.449 ' O ' ' CD2' ' A' ' 90' ' ' TRP . 90.5 t90 . . . . . 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 110.253 -179.389 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m . . . . . 0 N--CA 1.5 2.031 0 CA-C-O 121.35 0.595 . . . . 0.0 109.561 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.14 95.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.835 . . . . 0.0 111.65 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.115 -1.616 . . . . 0.0 109.637 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.86 -34.47 77.43 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -59.6 -45.72 91.06 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.674 0.749 . . . . 0.0 110.188 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.63 -27.8 65.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.789 -0.569 . . . . 0.0 111.871 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ttt -72.14 -48.75 41.34 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.524 -1.36 . . . . 0.0 110.261 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.99 -33.43 72.03 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.626 -0.671 . . . . 0.0 111.237 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -66.17 -55.85 14.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.448 -1.301 . . . . 0.0 109.987 -178.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.465 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.1 mp -45.45 -37.97 5.66 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.469 -1.394 . . . . 0.0 108.597 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.92 -39.77 82.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.345 -0.847 . . . . 0.0 110.702 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.47 -43.26 63.96 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.517 -1.364 . . . . 0.0 112.72 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.49 HG13 ' HD1' ' B' ' 15' ' ' PHE . 12.2 p -70.74 -39.97 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.821 -1.174 . . . . 0.0 109.93 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.641 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 5.4 m-30 -60.03 -40.36 89.09 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.722 -0.612 . . . . 0.0 110.225 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.477 ' C ' ' CD2' ' B' ' 16' ' ' HIS . 3.0 p-80 -73.49 -24.02 60.13 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.018 -1.676 . . . . 0.0 110.498 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -53.99 51.79 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.966 -1.084 . . . . 0.0 110.884 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.689 ' CD2' HD21 ' B' ' 36' ' ' LEU . 19.5 m-70 -83.21 -41.43 18.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.165 -0.96 . . . . 0.0 111.029 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 24' ' ' ASP . 9.3 t -56.59 -28.62 60.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.276 -0.89 . . . . 0.0 112.856 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.21 9.39 72.31 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.416 -1.428 . . . . 0.0 111.236 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -124.23 -62.8 1.25 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 118.809 1.304 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' B' ' 22' ' ' GLU . 35.3 mp0 -89.07 18.93 4.51 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.746 -1.221 . . . . 0.0 110.606 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.562 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -152.09 -155.49 7.06 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' B' ' 19' ' ' SER . 92.6 m-20 -86.85 168.77 13.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -1.145 . . . . 0.0 108.442 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -57.73 -49.38 76.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.263 -0.898 . . . . 0.0 111.983 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.33 24.12 11.14 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.588 -1.32 . . . . 0.0 111.486 -177.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -139.54 146.63 40.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 108.739 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -93.8 164.35 13.16 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.049 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.52 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.3 m -129.45 158.32 39.54 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.41 -0.806 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -48.24 -39.82 22.56 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.909 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -74.97 -23.88 58.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 119.604 -1.935 . . . . 0.0 109.732 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.562 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 81.5 mt-10 -76.45 -42.66 43.1 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.544 -0.722 . . . . 0.0 111.464 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.519 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.4 pp -59.75 -47.26 86.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.466 -1.396 . . . . 0.0 109.123 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.519 ' N ' HD12 ' B' ' 33' ' ' LEU . 80.4 tttt -61.06 -40.07 92.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.731 -0.606 . . . . 0.0 111.558 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -66.26 -42.5 88.43 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.689 HD21 ' CD2' ' B' ' 18' ' ' HIS . 54.5 mt -70.01 -39.98 75.52 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 119.308 -2.12 . . . . 0.0 110.774 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.52 -51.89 60.58 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.518 0.675 . . . . 0.0 112.492 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.688 HE21 ' NE2' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -66.04 -37.12 85.06 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.889 0.852 . . . . 0.0 111.88 -178.204 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.438 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.3 m -55.0 -46.01 75.12 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.737 -0.602 . . . . 0.0 111.295 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -100.43 -12.33 19.46 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.17 -0.956 . . . . 0.0 111.603 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 mt -134.93 47.28 2.37 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.94 -1.1 . . . . 0.0 109.359 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.526 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 67.7 m -60.17 -48.45 81.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 110.438 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -69.96 -39.52 75.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 111.844 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.521 ' O ' ' C ' ' B' ' 45' ' ' LEU . 35.1 t80 -85.19 -92.57 0.09 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.796 -1.19 . . . . 0.0 113.399 -177.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.521 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -32.92 133.06 0.13 Allowed 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 116.826 -1.559 . . . . 0.0 108.176 -174.51 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 49.3 t0 -90.22 108.22 19.62 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 125.088 3.585 . . . . 0.0 110.129 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.2 m -143.47 -45.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.13 -0.981 . . . . 0.0 110.088 178.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.688 ' NE2' HE21 ' B' ' 38' ' ' GLN . 88.3 mt-30 -77.82 -47.38 19.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.665 -1.272 . . . . 0.0 111.441 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.2 mmtt -57.55 -57.67 11.69 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD2' ' OD1' ' Y' ' 6' ' ' ASP . 98.1 m-20 -96.53 89.57 5.05 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.01 65.2 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.01 -38.24 82.07 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.99 89.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.409 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -35.42 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.496 -1.377 . . . . 0.0 108.424 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.5 -39.96 94.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.969 -1.082 . . . . 0.0 110.432 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -66.84 -40.06 87.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.075 -1.016 . . . . 0.0 110.004 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.788 HD11 ' OD1' ' Y' ' 8' ' ' ASN . 4.9 mm -69.77 -53.5 23.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 121.668 0.747 . . . . 0.0 110.819 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.98 -39.85 91.19 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.053 0.454 . . . . 0.0 111.306 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -45.81 92.48 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.0 -26.55 64.13 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.744 HD11 ' O ' ' B' ' 73' ' ' GLU . 14.4 tp -76.05 -41.74 49.77 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.165 0.507 . . . . 0.0 109.76 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.09 61.74 0.2 Allowed 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.8 mt-10 -59.97 -39.98 87.52 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.98 -19.24 61.26 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 35.52 49.49 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.331 -1.908 . . . . 0.0 108.331 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -96.5 -4.9 40.65 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.507 -0.996 . . . . 0.0 111.822 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.03 9.94 77.01 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.78 176.02 9.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.409 HG11 HD21 ' B' ' 61' ' ' LEU . 2.6 t -129.88 131.2 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.357 0 O-C-N 120.249 -1.532 . . . . 0.0 110.649 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -94.73 161.81 14.03 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.451 ' CD1' HG12 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -55.33 -39.57 70.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.044 -1.035 . . . . 0.0 109.135 -179.239 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.86 -28.49 69.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 119.736 -1.853 . . . . 0.0 109.573 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.744 ' O ' HD11 ' B' ' 61' ' ' LEU . 93.0 mt-10 -83.32 -49.9 8.91 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.788 0.804 . . . . 0.0 109.763 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.641 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.3 t80 -59.95 -49.0 79.41 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.5 -0.75 . . . . 0.0 111.447 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.546 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.3 p -59.99 -37.16 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 110.802 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.478 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -57.52 -29.66 34.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.22 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.522 HD12 HD22 ' B' ' 61' ' ' LEU . 0.6 OUTLIER -68.13 -59.5 3.19 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.787 0.803 . . . . 0.0 112.485 -177.651 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.419 ' O ' HG22 ' B' ' 82' ' ' THR . 26.0 m -61.73 -37.18 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.661 0.743 . . . . 0.0 110.721 -178.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.613 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -66.86 -41.39 87.4 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 121.681 -0.637 . . . . 0.0 111.471 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.16 54.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.853 -1.155 . . . . 0.0 113.02 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.93 -53.29 7.21 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.666 -1.896 . . . . 0.0 109.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.585 HG23 ' H ' ' B' ' 83' ' ' VAL . 3.1 t -45.41 -53.24 8.97 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.391 -0.818 . . . . 0.0 110.629 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.585 ' H ' HG23 ' B' ' 82' ' ' THR . 16.5 m -52.48 -41.28 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.03 . . . . 0.0 109.641 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.449 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.3 -25.24 65.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.21 -41.65 69.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.339 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.8 -40.01 91.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 0.0 109.613 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.395 -0.815 . . . . 0.0 110.264 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.5 -0.43 57.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.979 -1.076 . . . . 0.0 109.573 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -83.52 -13.76 53.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 108.933 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' CD2' ' B' ' 90' ' ' TRP . 90.4 t90 . . . . . 0 N--CA 1.494 1.752 0 O-C-N 121.465 -0.772 . . . . 0.0 110.246 -179.488 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.602 ' O ' HG23 ' X' ' 5' ' ' ILE . 8.0 tt . . . . . 0 N--CA 1.492 1.651 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -128.63 10.93 6.16 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.149 -0.97 . . . . 0.0 109.463 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.671 ' O ' HG22 ' X' ' 10' ' ' ILE . 4.6 p-90 -60.03 -40.71 90.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.092 -1.005 . . . . 0.0 110.413 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.592 ' OD1' HD11 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -53.05 -39.04 62.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.345 -2.097 . . . . 0.0 108.578 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -55.69 -23.05 26.44 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.671 HG22 ' O ' ' X' ' 7' ' ' TRP . 10.6 tt -51.71 -38.09 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 81' ' ' LEU . 58.8 tp -64.31 -40.24 95.53 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.204 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.579 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.952 HG23 ' H ' ' Y' ' 6' ' ' ASP . 12.2 tt . . . . . 0 N--CA 1.496 1.869 0 CA-C-O 120.344 0.116 . . . . 0.0 111.039 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . 0.952 ' H ' HG23 ' Y' ' 5' ' ' ILE . 4.3 p-10 42.24 16.86 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.1 -1.0 . . . . 0.0 110.252 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.686 ' O ' HG22 ' Y' ' 10' ' ' ILE . 25.7 t90 -60.34 -50.42 73.68 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.043 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.571 ' CG ' HD11 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -53.69 -31.16 46.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 119.909 -1.745 . . . . 0.0 109.141 -178.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -57.41 -24.84 57.93 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.686 HG22 ' O ' ' Y' ' 7' ' ' TRP . 4.2 tt -54.98 -37.5 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.457 HD22 ' CD2' ' B' ' 81' ' ' LEU . 54.5 tp -62.73 -41.89 99.39 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.649 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.824 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.803 0 N-CA-C 119.57 2.588 . . . . 0.0 119.57 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -77.91 158.08 29.53 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -1.162 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -41.29 -56.13 2.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.451 -0.781 . . . . 0.0 111.133 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 4' ' ' LEU . 17.7 mt -69.12 -41.25 77.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.851 -1.156 . . . . 0.0 110.282 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 -35.03 74.78 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.934 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 92.4 m -58.91 -50.04 75.54 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.781 -0.574 . . . . 0.0 109.881 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.27 67.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.675 -0.64 . . . . 0.0 112.349 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -70.23 -45.57 66.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.278 -1.514 . . . . 0.0 109.912 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.93 61.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.474 -0.766 . . . . 0.0 110.619 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -67.48 -57.83 5.83 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.481 -178.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 7.5 mp -50.95 -29.67 12.83 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.313 -1.492 . . . . 0.0 108.847 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.62 -39.44 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.277 -0.889 . . . . 0.0 109.804 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -70.42 -56.08 7.5 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.003 -1.061 . . . . 0.0 112.863 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.3 p -61.36 -50.02 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.43 -0.794 . . . . 0.0 111.922 -177.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.558 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.7 t80 -60.07 -40.16 88.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.155 -0.965 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.92 -40.0 87.36 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.497 -1.377 . . . . 0.0 110.034 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -80.1 -45.17 18.7 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.604 -1.31 . . . . 0.0 111.457 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.444 ' O ' ' O ' ' A' ' 24' ' ' ASP . 8.3 t -60.05 -28.01 67.42 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -177.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.41 4.91 77.35 Favored Glycine 0 N--CA 1.497 2.715 0 O-C-N 120.444 -1.41 . . . . 0.0 110.73 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.94 -61.4 1.24 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.429 -1.042 . . . . 0.0 110.312 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 54.7 mp0 -81.11 10.21 5.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 110.653 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -150.58 -146.44 4.33 Favored Glycine 0 N--CA 1.499 2.866 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.822 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 29.0 t0 -88.28 165.39 15.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.613 -0.934 . . . . 0.0 108.69 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 68.5 mmtt -55.45 -50.63 69.35 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.155 -0.966 . . . . 0.0 111.278 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -120.82 25.0 9.95 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 120.772 -1.205 . . . . 0.0 111.847 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -137.96 147.34 44.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.667 -1.27 . . . . 0.0 109.359 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.6 tp -98.04 163.78 12.62 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.262 -177.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.546 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 48.0 t -130.46 160.72 33.24 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.44 -43.72 11.63 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.327 -0.858 . . . . 0.0 112.255 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.68 -25.81 60.42 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 119.7 -1.875 . . . . 0.0 110.136 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HB2' ' H ' ' A' ' 29' ' ' SER . 68.2 mt-10 -77.72 -43.5 30.82 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.037 -1.039 . . . . 0.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.4 pp -56.04 -43.51 77.91 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.343 -1.473 . . . . 0.0 107.696 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 33' ' ' LEU . 76.4 tttt -60.08 -39.82 87.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 -178.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.5 -40.02 92.55 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.46 -0.775 . . . . 0.0 111.557 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 14' ' ' VAL . 3.1 mm? -61.54 -51.39 68.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.634 -1.291 . . . . 0.0 111.129 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.86 -41.04 75.38 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' THR . 1.7 pp0? -73.58 -39.93 64.28 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.088 -1.007 . . . . 0.0 112.898 -176.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 93.8 m -59.85 -46.62 88.7 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.974 -0.69 . . . . 0.0 111.201 -175.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.11 -16.22 17.13 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.309 -0.869 . . . . 0.0 112.457 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.879 HD13 HD23 ' A' ' 45' ' ' LEU . 88.1 mt -132.98 49.01 2.35 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.772 -1.205 . . . . 0.0 109.497 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.559 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 23.2 t -60.77 -49.8 76.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 110.335 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -64.91 -40.2 94.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.339 -0.851 . . . . 0.0 111.962 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.669 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.4 t80 -90.77 -101.36 0.1 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.761 -1.212 . . . . 0.0 111.989 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.879 HD23 HD13 ' A' ' 41' ' ' LEU . 2.0 mm? -8.5 137.43 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.357 0 CA-C-O 115.763 -2.065 . . . . 0.0 109.253 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.08 116.08 27.1 Favored 'General case' 0 N--CA 1.515 2.824 1 CA-C-N 126.9 4.409 . . . . 0.0 109.772 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ASP . 89.6 t -145.67 -87.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.794 -1.191 . . . . 0.0 110.436 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.401 ' N ' HG12 ' A' ' 47' ' ' VAL . 63.3 mm-40 -60.6 -40.42 91.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.997 -1.064 . . . . 0.0 111.154 -178.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 14.1 mtmm -60.87 -24.36 65.87 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' VAL . 31.7 t70 -145.19 90.22 2.02 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -30.1 64.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.03 -39.58 86.38 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.86 87.52 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.128 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -37.65 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.438 -1.414 . . . . 0.0 109.742 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.69 -40.01 80.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 0.0 110.889 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -64.78 -39.9 94.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.161 -0.962 . . . . 0.0 109.393 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.592 HD11 ' OD1' ' X' ' 8' ' ' ASN . 68.8 mt -65.82 -52.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 CA-C-O 121.916 0.865 . . . . 0.0 110.699 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.466 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.74 -36.17 78.22 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.699 -0.626 . . . . 0.0 110.286 -179.353 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -59.92 -43.28 95.0 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.08 -25.16 67.54 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.0 mt -93.28 -22.97 18.67 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.503 -0.748 . . . . 0.0 110.176 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.466 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 60.6 m-20 -76.55 45.23 0.39 Allowed 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 61' ' ' LEU . 96.2 mt-10 -60.03 -41.68 92.77 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.024 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.525 HD21 ' CG ' ' A' ' 66' ' ' ASP . 38.8 p30 -75.54 -21.03 58.29 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 76.93 37.65 32.73 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 108.131 -1.987 . . . . 0.0 108.131 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.525 ' CG ' HD21 ' A' ' 64' ' ' ASN . 34.5 p-10 -96.81 -8.74 30.32 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.404 -1.056 . . . . 0.0 111.405 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.72 10.21 86.38 Favored Glycine 0 N--CA 1.501 3.011 0 O-C-N 120.872 -1.143 . . . . 0.0 110.405 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -133.63 175.09 9.74 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.763 -1.434 . . . . 0.0 107.92 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.1 128.21 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.721 -1.237 . . . . 0.0 108.442 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -93.68 164.37 13.18 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -56.66 -32.18 65.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.059 -1.026 . . . . 0.0 109.293 -179.018 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.35 -26.87 62.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.826 -1.171 . . . . 0.0 109.604 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 76' ' ' VAL . 59.2 mt-10 -84.27 -46.98 11.25 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.138 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -67.4 -42.58 83.06 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.313 -0.867 . . . . 0.0 110.954 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.798 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.7 p -62.8 -37.98 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -59.9 -35.41 60.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.934 -1.104 . . . . 0.0 108.853 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.699 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.3 tm? -70.46 -51.4 29.47 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.44 -0.787 . . . . 0.0 112.729 -178.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 79' ' ' ALA . 34.5 m -59.76 -35.39 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 O-C-N 120.641 -1.287 . . . . 0.0 109.283 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.849 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -67.18 -40.83 86.64 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-O 121.692 0.758 . . . . 0.0 110.439 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.289 -0.882 . . . . 0.0 112.597 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.494 ' CD2' HD22 ' X' ' 11' ' ' LEU . 1.4 mm? -78.53 -44.73 23.6 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.108 -1.62 . . . . 0.0 109.983 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 83' ' ' VAL . 0.8 OUTLIER -53.51 -49.64 67.12 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.175 -0.953 . . . . 0.0 109.849 178.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 82' ' ' THR . 15.4 m -59.92 -41.78 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.086 -1.009 . . . . 0.0 110.299 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.445 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -61.44 -23.6 65.96 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.41 -0.806 . . . . 0.0 109.077 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.39 -47.51 41.47 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.184 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.59 -43.1 97.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 110.154 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -64.9 -40.19 94.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.41 -0.806 . . . . 0.0 110.73 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 63.9 t80 -88.2 -4.33 58.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.254 -0.904 . . . . 0.0 110.248 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -88.46 -23.76 23.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.099 -1.001 . . . . 0.0 109.539 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.696 -179.573 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 15.2 t . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 77.7 mm-40 -41.21 -56.14 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.401 -0.812 . . . . 0.0 111.228 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 4' ' ' LEU . 18.1 mt -69.28 -40.93 77.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.277 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.21 -35.73 76.09 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.839 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 10' ' ' THR . 93.8 m -58.4 -50.1 74.88 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.764 -0.585 . . . . 0.0 109.922 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.96 67.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.61 -0.681 . . . . 0.0 112.432 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.8 mtp -70.69 -45.27 65.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.393 -1.442 . . . . 0.0 110.039 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.92 61.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.578 -0.701 . . . . 0.0 110.543 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.2 OUTLIER -67.63 -57.69 5.97 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 121.068 -1.02 . . . . 0.0 108.599 -178.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 7.3 mp -51.02 -29.71 13.27 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.343 -1.473 . . . . 0.0 108.878 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mm -69.7 -38.95 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.27 -0.894 . . . . 0.0 109.748 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.77 -56.14 7.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.046 -1.034 . . . . 0.0 112.865 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.575 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -61.34 -50.09 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.5 -0.75 . . . . 0.0 111.825 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.575 ' N ' HG13 ' B' ' 14' ' ' VAL . 1.7 t80 -60.07 -39.93 87.76 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.009 -1.057 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.17 -39.8 87.7 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.459 -1.4 . . . . 0.0 109.877 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.76 64.27 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -80.34 -45.14 18.3 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.623 -1.298 . . . . 0.0 111.473 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.449 ' O ' ' O ' ' B' ' 24' ' ' ASP . 8.4 t -59.97 -28.26 67.53 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.111 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.19 4.57 77.67 Favored Glycine 0 N--CA 1.497 2.73 0 O-C-N 120.436 -1.415 . . . . 0.0 110.822 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -125.71 -61.41 1.25 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.365 -1.079 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 54.6 mp0 -81.05 10.1 5.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.889 -1.132 . . . . 0.0 110.688 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -150.28 -146.27 4.29 Favored Glycine 0 N--CA 1.498 2.784 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.449 ' O ' ' O ' ' B' ' 19' ' ' SER . 28.8 t0 -88.51 165.39 14.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.711 -0.876 . . . . 0.0 108.745 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 68.1 mmtt -55.61 -50.6 69.71 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.192 -0.942 . . . . 0.0 111.249 -177.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -120.67 24.72 10.14 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.764 -1.21 . . . . 0.0 111.832 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -137.75 146.88 44.19 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.523 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.567 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.4 tp -97.43 164.03 12.62 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.32 -177.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.543 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 47.3 t -130.67 160.76 33.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.447 -0.783 . . . . 0.0 109.417 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -45.42 -43.56 11.39 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.23 -0.919 . . . . 0.0 112.208 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -73.83 -25.92 60.33 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 119.637 -1.914 . . . . 0.0 110.114 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.543 ' HB2' ' H ' ' B' ' 29' ' ' SER . 68.2 mt-10 -77.6 -43.64 30.94 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.032 -1.042 . . . . 0.0 111.815 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.723 HD12 ' N ' ' B' ' 34' ' ' LYS . 4.4 pp -55.99 -43.26 77.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.377 -1.452 . . . . 0.0 107.807 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.723 ' N ' HD12 ' B' ' 33' ' ' LEU . 77.4 tttt -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.44 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.43 -40.09 92.87 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.466 -0.771 . . . . 0.0 111.576 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.492 ' CD1' HG22 ' B' ' 14' ' ' VAL . 3.2 mm? -61.57 -51.04 70.2 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.583 -1.323 . . . . 0.0 111.192 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.02 -41.18 74.63 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' B' ' 39' ' ' THR . 1.7 pp0? -73.45 -39.91 64.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 112.979 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.488 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.8 m -60.12 -46.8 88.42 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.07 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.95 -16.31 17.22 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.194 -0.941 . . . . 0.0 112.311 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.847 HD13 HD23 ' B' ' 45' ' ' LEU . 88.1 mt -132.28 48.92 2.37 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.791 -1.193 . . . . 0.0 109.65 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.539 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 22.2 t -61.02 -49.76 76.1 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.323 -0.861 . . . . 0.0 110.281 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -65.05 -40.12 94.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 111.815 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 15.2 t80 -91.83 -87.61 0.21 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.853 -1.155 . . . . 0.0 113.424 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.847 HD23 HD13 ' B' ' 41' ' ' LEU . 1.7 mm? -31.42 144.28 0.01 OUTLIER 'General case' 0 N--CA 1.519 3.016 0 CA-C-O 117.367 -1.301 . . . . 0.0 108.084 -174.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' Y' ' 8' ' ' ASN . 6.3 m-20 -89.21 115.09 26.46 Favored 'General case' 0 N--CA 1.505 2.275 0 CA-C-N 124.381 3.264 . . . . 0.0 109.332 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -145.47 -86.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.043 -1.036 . . . . 0.0 110.135 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.84 -39.91 90.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.082 -1.011 . . . . 0.0 111.227 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.7 mtmm -60.98 -24.82 66.4 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -144.94 90.05 2.02 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.73 -30.05 63.13 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.09 -39.82 87.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 177.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.47 87.99 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.9 -1.12 . . . . 0.0 110.139 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -37.78 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.409 -1.432 . . . . 0.0 109.747 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.71 -40.02 80.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 110.863 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.76 -39.94 94.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.096 -1.003 . . . . 0.0 109.347 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.571 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 74.3 mt -65.66 -52.08 54.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-O 121.915 0.864 . . . . 0.0 110.679 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.467 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -60.66 -36.25 78.24 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.895 -0.503 . . . . 0.0 110.284 -179.255 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.01 -43.02 95.52 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.74 -23.18 67.06 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' B' ' 63' ' ' GLU . 25.4 mt -94.96 -23.03 17.58 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.536 -0.727 . . . . 0.0 110.146 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.467 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 60.8 m-20 -76.7 45.06 0.39 Allowed 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' B' ' 61' ' ' LEU . 96.0 mt-10 -60.07 -41.59 92.75 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.885 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.528 HD21 ' CG ' ' B' ' 66' ' ' ASP . 39.0 p30 -75.47 -20.84 58.55 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 76.91 37.5 33.25 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 108.101 -2.0 . . . . 0.0 108.101 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.528 ' CG ' HD21 ' B' ' 64' ' ' ASN . 34.8 p-10 -96.84 -9.01 29.57 Favored 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.44 -1.035 . . . . 0.0 111.491 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.8 10.61 86.12 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.72 175.25 9.62 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.823 -1.398 . . . . 0.0 107.683 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -129.16 128.26 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.787 -1.195 . . . . 0.0 108.327 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -93.89 164.04 13.27 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.445 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -56.14 -32.35 64.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.121 -0.987 . . . . 0.0 109.482 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.18 -26.93 62.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.772 -1.205 . . . . 0.0 109.746 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.426 ' O ' HG12 ' B' ' 76' ' ' VAL . 59.3 mt-10 -84.39 -46.42 11.73 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.801 0.81 . . . . 0.0 110.255 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -67.68 -42.87 81.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.849 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.849 HG22 ' HB1' ' A' ' 79' ' ' ALA . 8.5 p -62.51 -37.92 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.477 -0.764 . . . . 0.0 110.642 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.426 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -59.95 -35.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.962 -1.086 . . . . 0.0 108.879 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.69 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.4 tm? -70.45 -51.51 28.73 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.523 -0.735 . . . . 0.0 112.841 -178.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.41 HG23 ' N ' ' B' ' 79' ' ' ALA . 34.4 m -59.75 -34.82 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.531 -1.356 . . . . 0.0 109.261 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.798 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -67.5 -41.04 85.14 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.801 0.81 . . . . 0.0 110.42 178.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -25.9 60.57 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.327 -0.858 . . . . 0.0 112.531 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.586 HD12 ' CZ3' ' Y' ' 7' ' ' TRP . 1.5 mm? -78.62 -44.87 22.88 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.163 -1.586 . . . . 0.0 109.884 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.455 HG23 ' H ' ' B' ' 83' ' ' VAL . 0.8 OUTLIER -53.19 -49.6 66.37 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.063 -1.023 . . . . 0.0 109.737 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.455 ' H ' HG23 ' B' ' 82' ' ' THR . 15.1 m -60.01 -41.42 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.167 -0.958 . . . . 0.0 110.123 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.438 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.93 -23.93 65.64 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.505 -0.747 . . . . 0.0 109.185 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.61 -48.13 34.94 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.51 -0.744 . . . . 0.0 110.098 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -59.99 -43.41 95.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.211 -0.931 . . . . 0.0 110.166 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.02 -39.95 94.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.325 -0.86 . . . . 0.0 110.75 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 65.2 t80 -88.51 -3.72 58.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.088 -1.007 . . . . 0.0 110.249 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -88.89 -24.12 22.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.09 -1.006 . . . . 0.0 109.449 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 0.0 109.586 -179.594 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.441 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 4.6 pt . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.619 0.723 . . . . 0.0 109.103 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -122.31 21.57 10.3 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.687 ' O ' HG22 ' X' ' 10' ' ' ILE . 43.0 t90 -58.86 -49.8 76.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.974 -178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.823 ' ND2' ' H ' ' A' ' 46' ' ' ASP . 13.3 m-20 -51.4 -34.87 36.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.162 -1.587 . . . . 0.0 108.432 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -55.05 -26.1 35.23 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.687 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.7 tt -53.42 -33.91 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.622 HD13 ' C ' ' X' ' 11' ' ' LEU . 3.1 tm? -64.15 -46.19 85.15 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.819 179.435 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 10.5 pt . . . . . 0 N--CA 1.491 1.582 0 CA-C-O 121.795 0.807 . . . . 0.0 108.945 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 87.2 m-20 -113.06 22.35 14.45 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.39 -0.819 . . . . 0.0 110.282 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.64 ' O ' HG22 ' Y' ' 10' ' ' ILE . 31.3 t90 -57.95 -48.71 79.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.143 -0.973 . . . . 0.0 110.997 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.583 ' N ' ' OD2' ' B' ' 46' ' ' ASP . 0.1 OUTLIER -49.37 -38.69 29.39 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.151 -1.593 . . . . 0.0 108.525 179.703 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.578 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 15.6 ttpp -57.3 -24.35 54.46 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.64 HG22 ' O ' ' Y' ' 7' ' ' TRP . 14.0 tt -54.7 -37.87 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 45.0 tp -66.38 -40.1 89.47 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.614 178.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.535 5.261 0 N-CA-C 119.332 2.493 . . . . 0.0 119.332 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.41 ' OG ' ' CD ' ' B' ' 40' ' ' GLU . 46.9 t -80.77 159.95 25.03 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.454 . . . . 0.0 109.069 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 37.2 mp0 -52.19 -46.22 65.47 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.36 -0.838 . . . . 0.0 110.188 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 4' ' ' LEU . 27.7 mt -70.3 -40.13 74.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.312 -0.868 . . . . 0.0 110.277 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.52 -27.93 67.39 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.099 -1.001 . . . . 0.0 108.937 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.3 m -59.35 -45.0 92.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.917 . . . . 0.0 109.726 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.84 70.76 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.1 ttt -69.6 -50.84 40.65 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.184 -1.572 . . . . 0.0 110.328 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.68 -32.69 70.03 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.77 -0.582 . . . . 0.0 112.095 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.68 -53.41 34.0 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.42 -178.342 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.446 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.1 mp -50.65 -39.86 51.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.62 -1.3 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.53 -38.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.38 -0.825 . . . . 0.0 111.527 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -79.6 -42.0 25.9 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.997 -1.689 . . . . 0.0 112.486 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.8 p -59.79 -39.4 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 120.5 -1.375 . . . . 0.0 108.483 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.444 ' CZ ' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.41 -38.89 85.45 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -62.83 -36.24 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.444 -1.41 . . . . 0.0 110.364 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -57.4 13.21 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.172 -0.955 . . . . 0.0 113.499 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.462 ' ND1' HD21 ' A' ' 36' ' ' LEU . 31.6 m80 -84.72 -40.19 17.62 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.758 -1.214 . . . . 0.0 111.804 -177.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.432 ' O ' ' O ' ' A' ' 24' ' ' ASP . 60.2 p -56.74 -29.96 63.06 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.279 -0.888 . . . . 0.0 112.672 -178.53 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.16 16.49 59.21 Favored Glycine 0 N--CA 1.503 3.162 0 O-C-N 120.577 -1.327 . . . . 0.0 111.445 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -125.74 -64.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.246 -1.15 . . . . 0.0 109.492 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.509 ' OE1' ' CE ' ' A' ' 31' ' ' LYS . 98.6 mt-10 -91.31 18.53 6.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.358 -0.839 . . . . 0.0 111.668 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -154.28 -156.08 7.52 Favored Glycine 0 N--CA 1.497 2.743 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.363 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 35.8 t0 -79.84 157.71 26.94 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 67.8 mttm -57.53 -50.15 74.03 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.066 -1.021 . . . . 0.0 112.176 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.441 ' OH ' ' O ' ' B' ' 86' ' ' ASN . 9.0 t80 -109.01 21.46 17.17 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 120.274 -1.516 . . . . 0.0 110.926 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -141.32 148.07 39.15 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 122.485 1.136 . . . . 0.0 110.178 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' CZ ' ' A' ' 15' ' ' PHE . 6.6 tp -92.51 166.27 12.61 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.873 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.57 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.9 t -131.23 163.14 28.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.31 -0.869 . . . . 0.0 110.321 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -50.27 -39.61 45.65 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.981 -1.088 . . . . 0.0 112.015 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.509 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 9.5 ttpp -75.96 -29.89 58.45 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 119.756 -1.84 . . . . 0.0 109.977 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HB2' ' H ' ' A' ' 29' ' ' SER . 83.4 mt-10 -71.47 -40.5 70.24 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.962 -1.086 . . . . 0.0 111.69 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 3.1 pp -61.14 -39.57 90.56 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.382 -1.449 . . . . 0.0 108.003 178.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.421 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 12.0 tptm -60.75 -39.38 88.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.72 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -73.96 -51.72 15.1 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.462 HD21 ' ND1' ' A' ' 18' ' ' HIS . 40.2 mt -60.91 -41.12 95.5 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 119.861 -1.774 . . . . 0.0 109.747 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD21 ' CE2' ' A' ' 74' ' ' PHE . 70.6 mt -70.11 -37.94 75.48 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 122.231 1.015 . . . . 0.0 110.019 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 42' ' ' SER . 45.5 tt0 -75.93 -39.75 55.53 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.537 0.684 . . . . 0.0 111.34 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.552 -0.717 . . . . 0.0 112.292 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 62.1 mm-40 -101.1 -24.06 14.36 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.926 -1.109 . . . . 0.0 111.779 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.2 mt -118.2 32.8 5.95 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -51.85 -62.53 1.57 Allowed 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.818 0.818 . . . . 0.0 109.93 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' OG ' ' A' ' 42' ' ' SER . 58.4 m -70.38 -23.51 62.79 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.625 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.4 t80 -82.57 -104.75 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.14 -1.6 . . . . 0.0 110.257 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.625 ' O ' ' O ' ' A' ' 44' ' ' PHE . 4.3 mp -16.34 151.23 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.364 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.461 173.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.823 ' H ' ' ND2' ' X' ' 8' ' ' ASN . 0.2 OUTLIER -89.93 95.34 10.18 Favored 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 123.83 3.014 . . . . 0.0 107.738 174.326 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 48' ' ' GLN . 5.2 t -126.82 -69.74 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 O-C-N 121.051 -1.03 . . . . 0.0 109.298 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.484 ' CD ' ' NE2' ' A' ' 38' ' ' GLN . 21.1 mm100 -68.75 -45.05 72.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.928 -1.107 . . . . 0.0 112.082 -177.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.49 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.58 -51.21 70.37 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 98.2 m-20 -101.38 94.78 6.1 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.56 78.3 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.31 -39.5 83.27 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.51 -36.4 64.18 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 118.568 -1.253 . . . . 0.0 108.651 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -39.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.218 -1.551 . . . . 0.0 108.118 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.22 -40.29 86.39 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.414 -0.804 . . . . 0.0 112.395 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.26 -40.0 86.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.336 -1.478 . . . . 0.0 109.281 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -68.26 -49.88 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-O 121.516 0.674 . . . . 0.0 110.461 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -59.89 -42.17 93.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.392 -0.817 . . . . 0.0 110.615 -179.373 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.51 94.21 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -59.54 -26.86 65.7 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.501 ' C ' ' H ' ' A' ' 63' ' ' GLU . 23.8 mt -94.24 -18.13 21.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.864 -0.522 . . . . 0.0 110.485 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 58' ' ' MET . 99.8 m-20 -75.58 43.7 0.25 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 61' ' ' LEU . 47.7 mt-10 -61.12 -42.98 99.51 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.092 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -76.47 -14.84 60.02 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.8 31.39 70.17 Favored Glycine 0 N--CA 1.484 1.839 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -92.05 -9.71 41.78 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.843 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.85 14.93 70.96 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.05 176.73 8.45 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' LEU . 2.4 t -134.38 124.15 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 38.0 p-10 -103.43 -22.36 13.66 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.229 -1.544 . . . . 0.0 111.319 -177.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER 159.81 -80.92 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.449 -0.782 . . . . 0.0 110.352 178.519 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.534 ' O ' HG23 ' A' ' 76' ' ' VAL . 7.3 tt0 -38.09 -23.94 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 CA-C-O 121.772 0.796 . . . . 0.0 110.051 -177.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 71' ' ' PHE . 92.6 mt-10 -82.97 -46.84 12.41 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.813 -1.179 . . . . 0.0 109.482 179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 71' ' ' PHE . 46.8 t80 -66.09 -55.4 16.7 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.539 -0.726 . . . . 0.0 112.441 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.468 HG21 ' CG1' ' B' ' 83' ' ' VAL . 0.8 OUTLIER -59.88 -31.32 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.279 -0.888 . . . . 0.0 110.013 -177.697 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 72' ' ' GLN . 43.5 t -63.37 -37.81 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.358 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.684 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.3 tm? -70.41 -57.86 4.36 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.331 -0.856 . . . . 0.0 112.183 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.543 HG23 ' N ' ' A' ' 79' ' ' ALA . 14.9 m -60.1 -40.15 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.117 -0.989 . . . . 0.0 109.31 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.543 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -59.4 -43.25 93.02 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-O 121.833 0.825 . . . . 0.0 109.583 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.7 59.89 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' X' ' 11' ' ' LEU . 6.1 mp -83.18 -46.52 12.62 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 119.601 -1.937 . . . . 0.0 110.233 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.492 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 6.1 t -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.954 -1.092 . . . . 0.0 110.675 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 84' ' ' ALA . 17.1 m -59.66 -42.06 87.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 O-C-N 120.181 -1.574 . . . . 0.0 108.875 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -63.43 -25.46 68.28 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.2 p -75.05 -37.27 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.213 -0.929 . . . . 0.0 109.042 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.446 ' CG ' ' HH ' ' B' ' 26' ' ' TYR . 28.4 t-20 -60.24 -40.43 90.2 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.79 -39.87 86.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -91.69 0.1 57.52 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.223 -0.923 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 64.6 t80 -83.2 -9.56 59.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.452 -0.78 . . . . 0.0 109.292 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 . . . . . 0 N--CA 1.49 1.55 0 O-C-N 121.545 -0.722 . . . . 0.0 109.65 -179.343 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . 0.411 ' OG ' ' CD ' ' A' ' 40' ' ' GLU . 44.9 t . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.372 0.606 . . . . 0.0 109.367 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 40.2 mp0 -51.27 -47.04 62.6 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.87 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 4' ' ' LEU . 25.7 mt -70.07 -39.6 75.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.435 -0.79 . . . . 0.0 110.351 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.9 -27.43 66.63 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.878 -1.139 . . . . 0.0 109.007 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 90.3 m -59.4 -45.55 91.19 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.87 0.843 . . . . 0.0 109.426 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.98 68.97 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ttt -70.04 -50.07 44.96 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 110.38 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.36 -34.51 70.54 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.524 -0.735 . . . . 0.0 111.916 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -64.58 -53.81 41.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.413 -1.43 . . . . 0.0 109.5 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.3 mp -50.48 -40.3 50.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.51 -1.369 . . . . 0.0 109.22 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.231 -0.918 . . . . 0.0 111.635 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -78.45 -42.23 30.5 Favored 'General case' 0 N--CA 1.512 2.63 0 O-C-N 120.025 -1.672 . . . . 0.0 112.764 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.455 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -59.55 -40.15 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.459 -1.401 . . . . 0.0 108.102 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.455 ' N ' HG13 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -59.91 -38.8 83.34 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -63.56 -35.9 82.03 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.501 -1.374 . . . . 0.0 110.049 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -57.1 14.55 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.138 -0.977 . . . . 0.0 113.284 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.494 ' ND1' HD21 ' B' ' 36' ' ' LEU . 35.1 m80 -84.57 -40.24 17.79 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.919 -1.113 . . . . 0.0 112.025 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 24' ' ' ASP . 59.6 p -57.26 -29.31 63.73 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.458 -0.776 . . . . 0.0 113.012 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.13 14.15 62.75 Favored Glycine 0 N--CA 1.5 2.921 0 O-C-N 120.68 -1.263 . . . . 0.0 111.157 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -125.41 -63.7 1.12 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.334 -1.097 . . . . 0.0 109.972 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.494 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 99.5 mt-10 -91.63 18.52 7.37 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.322 -0.861 . . . . 0.0 111.615 -177.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.566 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -153.81 -156.77 7.79 Favored Glycine 0 N--CA 1.495 2.619 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.552 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 38.6 t0 -78.88 158.13 28.15 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 67.0 mttm -57.8 -50.56 72.86 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 119.091 -1.044 . . . . 0.0 112.135 -177.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.446 ' HH ' ' CG ' ' A' ' 86' ' ' ASN . 9.2 t80 -109.0 21.43 17.22 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 120.267 -1.521 . . . . 0.0 111.133 -178.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -140.64 147.71 39.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.878 -1.139 . . . . 0.0 110.084 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.416 ' CB ' ' O ' ' B' ' 69' ' ' VAL . 5.9 tp -91.31 166.98 12.63 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.937 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.542 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 28.7 t -132.04 163.53 28.23 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -50.76 -38.51 48.26 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 118.87 -1.132 . . . . 0.0 112.325 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.494 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 9.7 ttpp -76.98 -30.31 55.91 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 119.754 -1.841 . . . . 0.0 109.546 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.566 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 83.2 mt-10 -70.64 -41.59 71.99 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 2.9 pp -59.79 -39.98 86.76 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.151 -1.593 . . . . 0.0 108.221 177.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.427 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 11.3 tptm -60.69 -38.9 86.49 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.03 -51.58 15.42 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.494 HD21 ' ND1' ' B' ' 18' ' ' HIS . 46.3 mt -61.57 -41.47 97.44 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 119.946 -1.721 . . . . 0.0 109.687 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.431 HD21 ' CE2' ' B' ' 74' ' ' PHE . 80.0 mt -69.66 -36.65 76.23 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 122.013 0.911 . . . . 0.0 109.763 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . 41.6 tt0 -76.7 -39.89 50.55 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.806 0.812 . . . . 0.0 111.417 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.72 -0.613 . . . . 0.0 112.159 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 55.2 mm-40 -101.28 -24.98 14.14 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.765 -1.209 . . . . 0.0 111.417 -177.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.0 mt -115.81 30.22 7.48 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -49.92 -62.55 1.5 Allowed 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.62 0.724 . . . . 0.0 110.137 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.459 ' N ' ' OG ' ' B' ' 42' ' ' SER . 63.0 m -71.12 -23.15 62.03 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.826 -0.546 . . . . 0.0 112.372 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 4.0 t80 -83.1 -91.76 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.273 -1.517 . . . . 0.0 112.623 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.438 ' N ' ' CG ' ' B' ' 44' ' ' PHE . 2.4 mp -39.07 158.98 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -177.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER -89.5 94.94 10.06 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 122.329 2.331 . . . . 0.0 107.826 177.283 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 48' ' ' GLN . 6.8 t -127.38 -68.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.706 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.495 ' CD ' ' NE2' ' B' ' 38' ' ' GLN . 19.9 mm100 -68.99 -43.53 74.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.058 -1.026 . . . . 0.0 112.052 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.493 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -62.02 -51.68 67.03 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.246 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 95.3 m-20 -101.28 94.82 6.14 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.82 79.58 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.87 -39.85 86.66 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.05 61.74 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.516 -1.274 . . . . 0.0 108.621 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -39.78 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.181 -1.574 . . . . 0.0 107.522 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -66.06 -41.43 90.79 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -66.6 -39.76 88.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.174 -1.579 . . . . 0.0 109.257 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 44.0 mt -68.44 -49.13 68.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-O 121.475 0.655 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.438 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -60.81 -40.44 92.72 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.709 -0.62 . . . . 0.0 110.802 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -45.43 92.67 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.89 -25.31 64.99 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' B' ' 63' ' ' GLU . 19.2 mt -94.96 -19.41 20.25 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.85 -0.531 . . . . 0.0 110.278 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.438 ' OD1' ' SD ' ' B' ' 58' ' ' MET . 98.7 m-20 -74.78 43.23 0.19 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.382 -1.449 . . . . 0.0 107.742 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' B' ' 61' ' ' LEU . 47.1 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.397 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -75.74 -15.51 60.27 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.98 30.49 67.8 Favored Glycine 0 N--CA 1.482 1.702 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 30.8 p-10 -91.5 -9.45 44.37 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.285 -1.126 . . . . 0.0 111.004 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.43 16.4 71.48 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -140.11 175.44 9.59 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.416 ' O ' ' CB ' ' B' ' 28' ' ' LEU . 2.5 t -132.54 124.56 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 39.2 p-10 -103.33 -23.31 13.59 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.311 -1.493 . . . . 0.0 111.109 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.2 OUTLIER 160.61 -80.48 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.41 -0.806 . . . . 0.0 110.661 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.597 ' O ' HG23 ' B' ' 76' ' ' VAL . 7.4 tt0 -38.85 -23.73 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 121.584 0.707 . . . . 0.0 109.973 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' B' ' 71' ' ' PHE . 91.2 mt-10 -82.66 -45.07 14.96 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.864 -1.148 . . . . 0.0 109.685 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 71' ' ' PHE . 48.4 t80 -67.85 -54.8 16.11 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.729 -0.607 . . . . 0.0 112.573 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.439 HG21 ' CG1' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -60.13 -31.1 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 109.703 -177.732 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.597 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -62.85 -39.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 120.9 -1.125 . . . . 0.0 109.512 177.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.7 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.3 tm? -69.69 -57.75 4.76 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.923 -1.111 . . . . 0.0 112.284 -177.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.516 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.7 m -60.36 -40.2 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.727 -1.233 . . . . 0.0 109.268 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.516 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -59.74 -40.04 86.73 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.701 0.763 . . . . 0.0 110.146 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.54 -23.44 53.63 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.372 -0.83 . . . . 0.0 113.006 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.45 -46.11 12.88 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 119.451 -2.031 . . . . 0.0 110.063 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.491 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 6.0 t -55.26 -42.02 72.97 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.243 -0.911 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 75' ' ' VAL . 18.5 m -59.53 -40.65 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.502 -1.374 . . . . 0.0 108.755 177.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.462 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -65.13 -25.43 67.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.0 OUTLIER -75.36 -36.97 60.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.441 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 28.4 t-20 -60.06 -40.21 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 109.902 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -90.93 0.25 57.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.141 -0.974 . . . . 0.0 109.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 62.6 t80 -83.66 -9.92 58.55 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.28 -0.887 . . . . 0.0 109.207 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 . . . . . 0 N--CA 1.49 1.566 0 O-C-N 121.102 -0.999 . . . . 0.0 109.678 -179.956 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . 0.429 ' O ' ' OD1' ' X' ' 6' ' ' ASP . 0.1 OUTLIER . . . . . 0 N--CA 1.503 2.181 0 CA-C-O 121.982 0.896 . . . . 0.0 111.075 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 53.8 m-20 -159.66 13.53 0.14 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.687 ' O ' HG22 ' X' ' 10' ' ' ILE . 38.6 t90 -59.99 -50.1 75.08 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.506 ' CG ' HD11 ' A' ' 57' ' ' ILE . 7.0 t-20 -53.02 -33.75 53.16 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 119.732 -1.855 . . . . 0.0 108.682 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -63.27 -25.69 68.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.687 HG22 ' O ' ' X' ' 7' ' ' TRP . 8.9 tt -50.36 -36.44 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -69.96 -39.95 75.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.498 179.77 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 tt . . . . . 0 N--CA 1.485 1.304 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -146.11 9.06 1.1 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.621 ' O ' HG22 ' Y' ' 10' ' ' ILE . 48.4 t90 -59.99 -49.61 76.98 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.312 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.59 ' ND2' HD11 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -51.33 -38.54 53.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 119.717 -1.865 . . . . 0.0 108.463 -179.156 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.408 ' O ' ' OXT' ' Y' ' 12' ' ' SER . 0.6 OUTLIER -60.25 -23.4 64.06 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.541 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.621 HG22 ' O ' ' Y' ' 7' ' ' TRP . 13.2 tt -50.46 -39.75 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.8 tp -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . 0.408 ' OXT' ' O ' ' Y' ' 9' ' ' LYS . 1.4 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.342 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.824 0 N-CA-C 119.716 2.646 . . . . 0.0 119.716 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -86.1 35.32 0.64 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.32 -1.106 . . . . 0.0 108.884 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 4' ' ' LEU . 6.5 tt -60.16 -40.38 89.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.693 -1.255 . . . . 0.0 108.887 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -36.54 77.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.981 . . . . 0.0 109.062 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.495 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.3 m -53.56 -46.1 70.13 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.47 -0.769 . . . . 0.0 110.437 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.53 72.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.8 -0.563 . . . . 0.0 112.509 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.3 ttt -69.02 -50.0 52.64 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.787 -1.196 . . . . 0.0 110.757 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.49 -29.45 68.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.697 -0.627 . . . . 0.0 110.306 -176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.2 -56.96 13.5 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.392 -179.673 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -50.09 -39.97 44.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.059 -1.651 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.92 -25.61 34.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.112 -0.992 . . . . 0.0 109.778 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.74 -53.4 7.57 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.181 -0.949 . . . . 0.0 112.152 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 15' ' ' PHE . 22.9 m -65.09 -48.49 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 110.926 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.645 ' N ' HG23 ' A' ' 14' ' ' VAL . 4.6 t80 -60.0 -41.72 92.69 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.149 -0.969 . . . . 0.0 109.559 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.0 -40.04 92.02 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.313 -1.492 . . . . 0.0 109.386 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -55.88 28.43 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 92.2 m-70 -82.6 -41.29 19.7 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.904 -1.123 . . . . 0.0 111.879 -177.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 20.3 m -52.66 -28.42 21.52 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.333 -0.855 . . . . 0.0 112.161 -178.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.92 11.43 49.09 Favored Glycine 0 N--CA 1.504 3.196 0 O-C-N 120.739 -1.226 . . . . 0.0 111.244 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' A' ' 23' ' ' GLY . 95.0 mttt -127.01 -74.38 0.59 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.031 -1.276 . . . . 0.0 109.269 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.403 ' OE1' ' OD2' ' A' ' 35' ' ' ASP . 98.9 mt-10 -64.91 15.16 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 110.402 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -171.15 176.45 44.48 Favored Glycine 0 N--CA 1.484 1.842 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 23' ' ' GLY . 95.5 m-20 -36.84 163.14 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.037 0.922 . . . . 0.0 110.941 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.12 -50.11 65.14 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.563 -0.711 . . . . 0.0 111.733 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -131.6 39.3 3.51 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.828 -1.17 . . . . 0.0 111.861 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -137.35 143.08 41.84 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.753 -1.217 . . . . 0.0 109.57 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.0 tp -96.62 102.37 14.15 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 122.298 1.046 . . . . 0.0 108.513 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLU . 78.6 p -72.48 157.02 38.41 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 120.744 -1.223 . . . . 0.0 108.531 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -46.97 -32.04 3.6 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.141 178.078 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -75.12 -34.95 61.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 108.447 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 14.0 mm-40 -61.58 -39.98 93.09 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.719 HD11 HG21 ' A' ' 69' ' ' VAL . 38.5 mt -60.02 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 122.078 0.942 . . . . 0.0 109.801 178.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -51.84 -45.55 64.04 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.348 -176.135 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.428 ' O ' ' OG1' ' A' ' 39' ' ' THR . 76.8 m-20 -72.61 -26.92 61.86 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.366 -0.834 . . . . 0.0 111.287 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -69.03 -56.46 7.68 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.177 -1.577 . . . . 0.0 109.914 -178.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.661 ' H ' HD22 ' A' ' 37' ' ' LEU . 1.2 mm? -69.33 -40.08 77.79 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.811 0.815 . . . . 0.0 110.705 -178.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 9.0 tt0 -69.71 -40.36 76.34 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.6 0.714 . . . . 0.0 112.917 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.9 m -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 112.271 -175.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 44.3 mp0 -100.21 -17.62 17.27 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.95 -1.094 . . . . 0.0 111.741 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.527 HD13 HD13 ' A' ' 45' ' ' LEU . 16.0 mt -131.54 50.05 2.27 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 120.942 -1.099 . . . . 0.0 110.208 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.48 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 41.1 t -63.36 -48.77 76.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.05 -1.031 . . . . 0.0 110.296 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 m -68.35 -40.44 81.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.54 -0.725 . . . . 0.0 112.457 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.585 ' O ' ' C ' ' A' ' 45' ' ' LEU . 22.2 t80 -86.52 -105.68 0.06 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.477 -1.389 . . . . 0.0 111.741 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 44' ' ' PHE . 1.9 mp -9.08 130.44 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.131 0 CA-C-O 115.201 -2.333 . . . . 0.0 109.288 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' H ' ' HB2' ' X' ' 8' ' ' ASN . 15.0 t0 -90.17 110.47 21.5 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-N 127.491 4.678 . . . . 0.0 109.551 177.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 48' ' ' GLN . 6.5 m -144.82 -40.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.643 -1.285 . . . . 0.0 110.814 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.488 ' N ' HG23 ' A' ' 47' ' ' VAL . 6.4 tm0? -93.47 -34.22 13.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.091 -1.006 . . . . 0.0 111.889 -177.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.48 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 23.3 mtmm -69.25 -26.8 64.96 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.967 -1.083 . . . . 0.0 109.561 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 p-10 -140.22 87.91 2.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.994 -1.066 . . . . 0.0 108.231 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.56 -25.21 3.86 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.01 -40.02 87.81 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.91 -39.83 86.75 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.094 -1.043 . . . . 0.0 108.713 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.98 61.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.114 -0.991 . . . . 0.0 109.312 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.97 -40.03 75.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.216 . . . . 0.0 110.983 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.82 -40.06 76.11 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.506 HD11 ' CG ' ' X' ' 8' ' ' ASN . 65.3 mt -66.94 -56.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.718 0.771 . . . . 0.0 110.337 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.407 ' SD ' ' CG ' ' A' ' 30' ' ' LYS . 4.2 ttt -59.99 -33.99 72.71 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.709 -0.619 . . . . 0.0 109.889 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -60.05 -41.18 91.76 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.99 -26.41 66.79 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 73' ' ' GLU . 25.6 mt -86.61 -30.75 21.57 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.464 -0.773 . . . . 0.0 109.418 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.42 47.61 0.23 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' LEU . 94.6 mt-10 -59.94 -40.75 90.03 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.643 -0.823 . . . . 0.0 108.979 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -74.13 -24.7 59.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.09 17.21 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 38.0 p-10 -96.14 -10.54 27.98 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.491 -1.005 . . . . 0.0 112.071 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.64 -2.06 87.23 Favored Glycine 0 N--CA 1.505 3.271 0 O-C-N 120.872 -1.143 . . . . 0.0 111.206 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 24.0 mp0 -141.98 173.6 11.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.363 -1.669 . . . . 0.0 108.411 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.719 HG21 HD11 ' A' ' 33' ' ' LEU . 2.4 t -126.14 129.96 72.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.583 ' O ' ' HB2' ' A' ' 71' ' ' PHE . 32.7 p-10 -105.88 -13.49 15.49 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.859 -1.151 . . . . 0.0 112.772 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER 152.88 -86.99 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.948 0 CA-C-N 118.826 0.739 . . . . 0.0 110.923 176.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 76' ' ' VAL . 57.4 tt0 -37.1 -24.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 110.525 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 71' ' ' PHE . 96.9 mt-10 -82.5 -49.09 10.29 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 71' ' ' PHE . 72.8 t80 -63.15 -49.96 72.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.739 -0.601 . . . . 0.0 112.047 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.669 ' HB ' ' HB1' ' B' ' 79' ' ' ALA . 0.0 OUTLIER -57.75 -35.84 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.02 -1.05 . . . . 0.0 109.113 -179.189 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 72' ' ' GLN . 47.4 t -59.98 -39.98 81.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.706 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.2 tm? -65.97 -52.46 49.41 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.173 -0.955 . . . . 0.0 111.956 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.0 -39.2 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.898 -1.126 . . . . 0.0 109.011 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB1' ' HB ' ' B' ' 75' ' ' VAL . . . -60.05 -47.88 84.02 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 122.348 1.07 . . . . 0.0 110.971 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.88 -24.73 60.89 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.01 -49.09 11.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.574 -1.954 . . . . 0.0 109.924 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 83' ' ' VAL . 2.8 t -49.29 -47.19 47.11 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.02 . . . . 0.0 110.443 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.504 HG11 HG21 ' B' ' 75' ' ' VAL . 22.4 m -60.06 -41.06 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.992 -1.067 . . . . 0.0 109.987 178.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -62.8 -23.81 67.43 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.484 -0.76 . . . . 0.0 109.47 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.33 -48.4 34.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.434 -0.791 . . . . 0.0 110.299 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -61.59 -41.76 97.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 109.743 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 49.3 t-20 -62.13 -40.07 94.71 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.442 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 65.2 t80 -82.48 -10.75 58.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.98 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.55 -34.09 35.7 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.258 -0.901 . . . . 0.0 108.599 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 . . . . . 0 C--N 1.304 -1.38 0 O-C-N 121.606 -0.684 . . . . 0.0 110.577 -179.082 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m . . . . . 0 N--CA 1.492 1.675 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.12 -39.92 87.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 110.142 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.437 ' O ' HD23 ' B' ' 4' ' ' LEU . 6.6 tt -60.17 -40.3 89.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.765 -1.21 . . . . 0.0 108.947 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -36.62 77.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.054 -1.029 . . . . 0.0 108.997 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.498 ' O ' ' OG1' ' B' ' 10' ' ' THR . 22.3 m -53.4 -46.45 69.7 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.526 -0.734 . . . . 0.0 110.459 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -31.88 73.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.0 ttt -69.18 -50.05 51.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.85 -1.156 . . . . 0.0 110.747 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.4 -29.72 68.47 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.704 -0.622 . . . . 0.0 110.304 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -61.85 -57.23 12.62 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.371 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -49.85 -40.08 41.16 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.097 -1.627 . . . . 0.0 109.435 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.96 -25.48 34.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.112 -0.993 . . . . 0.0 109.84 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.22 -0.925 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.626 HG23 ' N ' ' B' ' 15' ' ' PHE . 21.6 m -64.92 -48.42 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.644 -0.66 . . . . 0.0 110.933 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.626 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.9 t80 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.186 -0.946 . . . . 0.0 109.584 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.13 -39.97 92.05 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.357 -1.464 . . . . 0.0 109.38 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.03 -56.03 26.69 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 91.9 m-70 -82.42 -41.65 19.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.893 -1.13 . . . . 0.0 111.813 -177.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.8 m -52.54 -28.24 19.95 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.399 -0.813 . . . . 0.0 112.151 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.07 11.27 48.48 Favored Glycine 0 N--CA 1.503 3.101 0 O-C-N 120.769 -1.207 . . . . 0.0 111.381 -178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' B' ' 23' ' ' GLY . 95.0 mttt -126.87 -74.28 0.6 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.012 -1.287 . . . . 0.0 109.271 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.94 15.14 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.364 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -171.21 176.76 44.43 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 119.121 -1.514 . . . . 0.0 110.818 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 23' ' ' GLY . 95.1 m-20 -37.0 163.13 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.026 0.917 . . . . 0.0 110.981 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -53.09 -50.11 65.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.518 -0.739 . . . . 0.0 111.74 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.47 38.68 3.58 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.822 -1.173 . . . . 0.0 111.871 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -137.02 142.9 42.49 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.666 -1.271 . . . . 0.0 109.61 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.416 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.0 tp -96.41 102.37 14.15 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.353 1.073 . . . . 0.0 108.589 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 32' ' ' GLU . 78.7 p -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.289 -2.031 0 O-C-N 120.702 -1.249 . . . . 0.0 108.558 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.539 ' HA ' HD12 ' B' ' 33' ' ' LEU . 0.1 OUTLIER -46.92 -32.0 3.52 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.233 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -75.17 -34.9 61.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.431 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 13.8 mm-40 -61.62 -39.95 93.12 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.704 HD11 HG21 ' B' ' 69' ' ' VAL . 37.4 mt -60.09 -49.03 79.27 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.955 0.883 . . . . 0.0 109.685 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' B' ' 38' ' ' GLN . 0.2 OUTLIER -51.9 -45.69 64.3 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.286 -176.074 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -72.44 -26.88 62.0 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.308 -0.87 . . . . 0.0 111.364 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' B' ' 36' ' ' LEU . 0.9 OUTLIER -69.18 -56.4 7.75 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.186 -1.571 . . . . 0.0 109.935 -178.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.646 HD22 ' H ' ' B' ' 37' ' ' LEU . 1.3 mm? -69.55 -39.97 77.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.795 0.807 . . . . 0.0 110.632 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 9.4 tt0 -69.84 -40.23 75.95 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 0.0 112.311 -175.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 44.6 mp0 -100.06 -17.76 17.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.03 -1.044 . . . . 0.0 111.657 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.518 HD13 HD13 ' B' ' 45' ' ' LEU . 16.9 mt -131.39 49.92 2.28 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.96 -1.088 . . . . 0.0 110.172 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.449 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 42.4 t -63.13 -49.08 75.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.111 -0.993 . . . . 0.0 110.296 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.4 m -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.56 -0.712 . . . . 0.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.601 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.5 t80 -87.61 -91.95 0.11 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.641 -1.287 . . . . 0.0 113.171 -177.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.4 mp -32.33 137.53 0.06 Allowed 'General case' 0 N--CA 1.515 2.788 0 CA-C-O 116.899 -1.524 . . . . 0.0 108.19 -174.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.481 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 17.0 t0 -90.23 110.02 21.08 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-N 124.999 3.545 . . . . 0.0 109.054 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.49 HG23 ' N ' ' B' ' 48' ' ' GLN . 10.0 m -145.04 -40.85 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.972 -1.08 . . . . 0.0 110.497 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.49 ' N ' HG23 ' B' ' 47' ' ' VAL . 6.6 tm0? -93.37 -34.48 13.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 111.938 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 23.4 mtmm -68.92 -27.09 65.45 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.954 -1.091 . . . . 0.0 109.558 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 15.6 p-10 -140.4 87.82 2.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.041 -1.037 . . . . 0.0 108.268 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -24.99 3.52 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.05 -40.41 89.33 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.352 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -33.91 59.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.135 -0.978 . . . . 0.0 109.499 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -70.05 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.738 -1.226 . . . . 0.0 110.891 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -69.95 -40.1 75.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.187 -0.946 . . . . 0.0 109.956 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.59 HD11 ' ND2' ' Y' ' 8' ' ' ASN . 57.2 mt -66.84 -56.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.653 0.74 . . . . 0.0 110.224 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.406 ' SD ' ' CG ' ' B' ' 30' ' ' LYS . 4.3 ttt -59.96 -34.01 72.7 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.663 -0.648 . . . . 0.0 109.916 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -60.02 -41.27 91.82 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -24.09 65.24 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.542 HD22 ' O ' ' B' ' 73' ' ' GLU . 23.9 mt -88.45 -30.76 19.19 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.505 -0.747 . . . . 0.0 109.117 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -73.54 47.55 0.24 Allowed 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' B' ' 61' ' ' LEU . 94.5 mt-10 -59.97 -40.68 89.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.611 -0.835 . . . . 0.0 108.884 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.19 -24.71 59.4 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.96 39.07 17.57 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 107.866 -2.094 . . . . 0.0 107.866 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 38.4 p-10 -96.02 -10.77 27.69 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.472 -1.017 . . . . 0.0 112.083 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.6 -1.74 87.21 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 120.87 -1.144 . . . . 0.0 111.231 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 24.1 mp0 -142.13 173.63 11.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.476 -1.603 . . . . 0.0 108.299 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.704 HG21 HD11 ' B' ' 33' ' ' LEU . 2.5 t -125.96 130.01 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 33.9 p-10 -105.69 -13.89 15.43 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.823 -1.173 . . . . 0.0 112.749 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.1 OUTLIER 153.15 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.946 0 CA-C-N 118.83 0.741 . . . . 0.0 110.915 176.819 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.574 ' O ' HG23 ' B' ' 76' ' ' VAL . 57.0 tt0 -37.23 -24.49 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' B' ' 71' ' ' PHE . 97.0 mt-10 -82.71 -49.17 10.05 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' B' ' 71' ' ' PHE . 72.5 t80 -62.85 -50.02 72.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.653 -0.654 . . . . 0.0 112.059 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.675 ' HB ' ' HB1' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -57.84 -35.75 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.142 -179.054 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 72' ' ' GLN . 44.9 t -60.02 -39.91 81.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.441 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.695 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.3 tm? -66.08 -52.37 49.51 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.152 -0.967 . . . . 0.0 112.015 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.468 ' H ' HG23 ' B' ' 78' ' ' VAL . 1.4 t -60.06 -39.09 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.834 -1.166 . . . . 0.0 108.904 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.669 ' HB1' ' HB ' ' A' ' 75' ' ' VAL . . . -60.04 -47.74 84.59 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.398 1.094 . . . . 0.0 111.042 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.11 -24.66 60.66 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.17 -48.77 11.66 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 119.592 -1.942 . . . . 0.0 109.993 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.452 HG23 ' N ' ' B' ' 83' ' ' VAL . 2.8 t -49.63 -47.2 49.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 110.39 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.494 HG11 HG21 ' A' ' 75' ' ' VAL . 24.9 m -60.04 -41.17 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.059 -1.026 . . . . 0.0 110.129 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.458 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -62.54 -23.89 67.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.53 -0.732 . . . . 0.0 109.41 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.44 -48.14 36.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.391 -0.818 . . . . 0.0 110.331 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.65 -41.77 97.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.102 -0.999 . . . . 0.0 109.819 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 48.9 t-20 -62.12 -39.95 94.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 110.361 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.436 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 65.1 t80 -82.49 -11.17 58.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.862 . . . . 0.0 109.979 -178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.73 -34.64 39.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.257 -0.902 . . . . 0.0 108.686 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 . . . . . 0 C--N 1.305 -1.367 0 O-C-N 121.624 -0.673 . . . . 0.0 110.572 -178.901 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 pt . . . . . 0 N--CA 1.496 1.864 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -124.66 9.31 8.31 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.88 0.848 . . . . 0.0 109.436 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 7' ' ' TRP . . . . . 0.723 ' O ' HG22 ' X' ' 10' ' ' ILE . 4.8 p-90 -60.03 -48.56 81.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.207 -0.933 . . . . 0.0 110.291 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 8' ' ' ASN . . . . . 0.62 ' N ' ' CG ' ' X' ' 7' ' ' TRP . 3.7 p30 -46.31 -39.76 10.66 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.423 -1.423 . . . . 0.0 109.967 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -59.18 -24.06 62.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' X' X ' 10' ' ' ILE . . . . . 0.723 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.1 tt -49.73 -36.22 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 11' ' ' LEU . . . . . 0.681 ' C ' HD23 ' X' ' 11' ' ' LEU . 7.5 tt -67.95 -43.28 79.42 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.5 179.69 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' Y' Y ' 5' ' ' ILE . . . . . 0.407 HG21 HD13 ' Y' ' 5' ' ' ILE . 12.1 pt . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -128.42 12.43 6.46 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.209 -0.932 . . . . 0.0 109.3 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' Y' Y ' 7' ' ' TRP . . . . . 0.708 ' O ' HG22 ' Y' ' 10' ' ' ILE . 5.3 p-90 -60.05 -47.33 86.29 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.024 0.916 . . . . 0.0 109.207 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 8' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 3.5 p30 -48.26 -38.29 18.34 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.391 -1.443 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 9' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' Y' ' 12' ' ' SER . 25.1 ttpt -59.84 -23.27 63.24 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 10' ' ' ILE . . . . . 0.708 HG22 ' O ' ' Y' ' 7' ' ' TRP . 8.2 tt -49.96 -34.54 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' Y' Y ' 11' ' ' LEU . . . . . 0.448 HD21 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -69.95 -40.01 75.72 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.518 179.378 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 36.0 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.465 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.517 2.567 . . . . 0.0 119.517 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -89.87 20.44 4.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.866 -1.373 . . . . 0.0 109.788 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 32.8 mp0 -59.96 -40.06 87.72 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.162 -0.961 . . . . 0.0 110.278 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.94 -43.69 98.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.452 -1.405 . . . . 0.0 109.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.02 -36.92 78.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.506 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.1 m -55.67 -50.24 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.652 0.739 . . . . 0.0 110.416 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.82 73.17 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.0 -47.42 62.24 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.621 -1.299 . . . . 0.0 110.154 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.03 -25.05 63.38 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.746 -0.597 . . . . 0.0 110.51 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.328 -0.857 . . . . 0.0 109.952 -178.61 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.589 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 8.2 mp -52.81 -39.97 62.86 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.119 -1.613 . . . . 0.0 109.025 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -66.18 -40.03 85.93 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 120.891 -1.131 . . . . 0.0 112.284 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -81.99 -48.65 11.19 Favored 'General case' 0 N--CA 1.511 2.588 0 O-C-N 119.944 -1.723 . . . . 0.0 113.528 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -38.51 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.415 -1.428 . . . . 0.0 108.089 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.758 ' CD1' HD21 ' A' ' 36' ' ' LEU . 15.5 m-30 -60.0 -37.67 80.38 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.4 -32.67 74.2 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.639 -1.288 . . . . 0.0 110.177 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -55.4 35.65 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.168 -0.958 . . . . 0.0 112.578 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.52 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 36.9 t-80 -81.87 -32.93 30.82 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.062 -1.024 . . . . 0.0 111.05 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.498 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 71.0 m -59.95 -34.32 73.11 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -177.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.45 15.75 14.86 Favored Glycine 0 N--CA 1.514 3.844 0 CA-C-N 120.431 1.468 . . . . 0.0 112.404 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.37 11.53 7.47 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-N 119.099 1.45 . . . . 0.0 109.219 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 18' ' ' HIS . 67.5 tt0 -161.48 27.86 0.13 Allowed 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.31 26.86 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 118.919 -1.61 . . . . 0.0 111.465 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.0 t0 -58.14 144.17 41.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.88 -0.777 . . . . 0.0 109.125 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 63.0 tttp -55.07 -50.02 70.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.913 . . . . 0.0 112.465 -177.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -118.66 24.02 11.13 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.619 -1.301 . . . . 0.0 111.485 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 24' ' ' ASP . 2.9 mtpm? -133.81 142.71 47.98 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.876 -1.14 . . . . 0.0 109.681 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.498 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 1.9 tp -92.34 108.62 20.1 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.497 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.5 m -72.71 158.27 35.93 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 119.982 -1.699 . . . . 0.0 108.703 178.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' SER . 17.5 tptm -42.52 -33.16 0.64 Allowed 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.163 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -84.14 -25.52 29.59 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.281 -1.512 . . . . 0.0 109.911 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' SER . 51.0 mt-10 -69.99 -40.54 75.27 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.651 -1.281 . . . . 0.0 109.856 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.8 pp -65.73 -40.21 91.93 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.923 -1.11 . . . . 0.0 109.267 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 33' ' ' LEU . 73.8 tttt -64.35 -43.4 94.67 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.12 -37.69 64.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.987 -1.071 . . . . 0.0 110.839 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' A' ' 15' ' ' PHE . 51.4 tp -60.0 -50.0 75.45 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -72.0 -40.04 68.79 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.864 0.84 . . . . 0.0 112.249 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.647 HE22 HE21 ' A' ' 48' ' ' GLN . 5.3 tt0 -70.01 -42.12 73.43 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.783 0.801 . . . . 0.0 112.205 -177.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.0 m -60.03 -47.36 86.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.638 -0.664 . . . . 0.0 112.137 -175.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 33.7 mm-40 -99.98 -20.04 16.28 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.754 -1.216 . . . . 0.0 112.141 -176.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -128.03 48.76 2.23 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.981 -1.074 . . . . 0.0 109.307 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.533 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 14.5 t -61.16 -40.9 95.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.521 -0.737 . . . . 0.0 110.505 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 m -79.13 -41.23 29.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.237 -0.914 . . . . 0.0 112.249 -177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.727 ' O ' ' O ' ' A' ' 45' ' ' LEU . 38.6 t80 -82.34 -105.48 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.527 -1.358 . . . . 0.0 110.733 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.727 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -9.49 147.81 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.263 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.301 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 21.0 p-10 -91.31 124.85 35.82 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 124.706 3.412 . . . . 0.0 110.552 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -154.68 -90.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.799 -1.188 . . . . 0.0 110.204 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.647 HE21 HE22 ' A' ' 38' ' ' GLN . 79.1 mm-40 -60.6 -44.41 96.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.348 -0.845 . . . . 0.0 112.035 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HZ3' ' H ' ' A' ' 49' ' ' LYS . 11.0 mtmm -58.63 -17.58 23.31 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -152.47 90.36 1.49 Allowed 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.28 82.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.278 -0.889 . . . . 0.0 109.372 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.99 -38.9 73.7 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -59.99 -40.07 87.93 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.756 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -36.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.403 -1.436 . . . . 0.0 108.794 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.13 -39.92 90.25 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.599 -0.688 . . . . 0.0 110.669 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -64.86 -39.89 94.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.174 -0.954 . . . . 0.0 109.962 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.416 HD11 ' OD2' ' A' ' 46' ' ' ASP . 22.7 mt -69.46 -52.79 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.642 -0.661 . . . . 0.0 111.255 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.497 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -61.24 -35.62 77.75 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.418 -0.801 . . . . 0.0 110.213 -179.077 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -59.95 -47.36 86.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -58.49 -22.38 54.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 63' ' ' GLU . 34.1 mt -94.75 -25.43 16.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.61 -0.681 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.497 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 80.1 m-20 -73.2 47.45 0.21 Allowed 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.8 mm-40 -60.0 -40.78 90.38 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.423 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -77.65 -21.77 51.68 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.93 38.89 25.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 107.408 -2.277 . . . . 0.0 107.408 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 37.2 p-10 -94.48 -11.13 30.28 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 121.454 -1.027 . . . . 0.0 111.756 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.9 76.61 Favored Glycine 0 N--CA 1.504 3.214 0 O-C-N 120.941 -1.099 . . . . 0.0 110.795 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 36.8 mp0 -140.69 172.88 12.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.469 -1.607 . . . . 0.0 108.581 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 61' ' ' LEU . 11.0 t -111.99 129.43 67.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -95.61 150.88 19.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 108.524 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 29.4 t80 -45.15 -32.41 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.134 -0.979 . . . . 0.0 110.432 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.552 ' NE2' HD21 ' B' ' 87' ' ' ASN . 62.1 mt-30 -72.85 -25.62 61.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.648 -1.282 . . . . 0.0 108.704 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASP . 85.0 mt-10 -84.59 -40.0 18.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 121.679 0.752 . . . . 0.0 110.293 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.6 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 20.6 t80 -69.07 -46.84 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.602 -0.686 . . . . 0.0 111.188 -177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.713 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.4 t -60.03 -39.84 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.194 -0.941 . . . . 0.0 109.218 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.9 t -58.03 -37.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.863 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 81' ' ' LEU . 3.4 tm? -69.78 -55.7 9.14 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.205 -0.935 . . . . 0.0 112.994 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 82' ' ' THR . 33.3 m -55.88 -34.57 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 O-C-N 120.313 -1.492 . . . . 0.0 109.587 -178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.728 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -68.25 -38.4 81.77 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.67 -25.05 49.24 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 77' ' ' LEU . 25.0 mt -85.99 -41.35 14.94 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.747 -1.846 . . . . 0.0 109.765 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.0 t -56.54 -43.08 79.52 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.526 -1.359 . . . . 0.0 109.582 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 82' ' ' THR . 16.0 m -60.04 -40.07 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 109.349 177.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.465 ' HB3' ' CZ3' ' X' ' 7' ' ' TRP . . . -61.06 -26.97 68.01 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.02 -39.91 75.53 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.571 -0.706 . . . . 0.0 109.726 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.12 -40.97 91.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.0 109.061 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.583 HD21 ' NE2' ' B' ' 72' ' ' GLN . 26.6 m120 -61.51 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.399 -0.813 . . . . 0.0 109.5 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CE1' HD12 ' X' ' 10' ' ' ILE . 3.0 m-85 -88.18 -0.34 56.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.391 -0.818 . . . . 0.0 109.879 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -84.62 -36.45 21.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.928 -1.108 . . . . 0.0 109.28 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 m95 . . . . . 0 N--CA 1.492 1.651 0 O-C-N 121.399 -0.813 . . . . 0.0 111.207 -178.78 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m . . . . . 0 N--CA 1.495 1.79 0 CA-C-O 121.126 0.489 . . . . 0.0 109.79 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 33.2 mp0 -59.98 -40.03 87.74 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.067 -1.02 . . . . 0.0 110.202 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -43.82 98.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.313 -1.492 . . . . 0.0 109.174 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -36.88 78.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.087 -1.008 . . . . 0.0 108.768 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.499 ' O ' ' OG1' ' B' ' 10' ' ' THR . 18.9 m -55.75 -50.06 71.43 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.653 0.74 . . . . 0.0 110.426 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.04 72.08 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 112.829 0.678 . . . . 0.0 112.829 -177.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.3 -47.29 61.83 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.641 -1.287 . . . . 0.0 110.086 -178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.0 -25.24 63.51 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.719 -0.613 . . . . 0.0 110.495 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -68.65 -57.76 5.23 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.362 -0.836 . . . . 0.0 109.967 -178.589 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.593 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 8.1 mp -52.83 -40.05 63.0 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.166 -1.584 . . . . 0.0 109.003 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.1 -39.98 85.91 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 120.956 -1.09 . . . . 0.0 112.284 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -82.21 -48.59 11.09 Favored 'General case' 0 N--CA 1.511 2.604 0 O-C-N 119.987 -1.696 . . . . 0.0 113.54 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.02 -38.4 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.475 -1.391 . . . . 0.0 108.04 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.758 ' CD1' HD21 ' B' ' 36' ' ' LEU . 15.5 m-30 -59.98 -37.52 79.87 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.62 -32.72 74.22 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.712 -1.243 . . . . 0.0 110.186 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -55.3 36.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.063 -1.023 . . . . 0.0 112.599 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' B' ' 22' ' ' GLU . 36.3 t-80 -81.72 -33.03 31.32 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.038 -1.039 . . . . 0.0 111.139 -178.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 67.2 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.73 15.93 14.07 Favored Glycine 0 N--CA 1.514 3.851 0 O-C-N 120.364 -1.46 . . . . 0.0 112.393 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.16 11.11 7.56 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 119.053 1.427 . . . . 0.0 109.245 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 22' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' B' ' 18' ' ' HIS . 67.2 tt0 -161.21 27.9 0.14 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.15 26.57 Favored Glycine 0 N--CA 1.482 1.748 0 C-N-CA 118.879 -1.629 . . . . 0.0 111.451 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' ASP . . . . . 0.546 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 52.8 t0 -58.16 144.21 41.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.895 -0.768 . . . . 0.0 109.198 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 63.5 tttp -55.19 -49.92 70.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 0.0 112.516 -177.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -118.5 23.79 11.3 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 120.539 -1.351 . . . . 0.0 111.516 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.546 ' NZ ' ' OD2' ' B' ' 24' ' ' ASP . 2.9 mtpm? -133.71 142.55 48.04 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.871 -1.143 . . . . 0.0 109.678 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.497 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 1.9 tp -91.9 108.75 20.15 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 32' ' ' GLU . 13.9 m -72.88 158.36 35.67 Favored 'General case' 0 C--N 1.29 -1.988 0 O-C-N 119.934 -1.729 . . . . 0.0 108.671 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' B' ' 29' ' ' SER . 17.3 tptm -42.42 -33.21 0.63 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.438 -0.789 . . . . 0.0 110.137 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -84.18 -25.63 29.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.357 -1.464 . . . . 0.0 109.982 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' SER . 51.1 mt-10 -69.99 -40.41 75.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.717 -1.24 . . . . 0.0 109.811 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.428 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.6 pp -65.44 -40.34 93.15 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.834 -1.166 . . . . 0.0 109.283 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.428 ' N ' HD12 ' B' ' 33' ' ' LEU . 74.4 tttt -64.41 -43.38 94.57 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -176.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -73.91 -37.97 64.48 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.154 -0.966 . . . . 0.0 110.782 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' B' ' 15' ' ' PHE . 49.8 tp -59.9 -50.02 75.4 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.331 -0.856 . . . . 0.0 109.475 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.03 -40.03 68.71 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.923 0.868 . . . . 0.0 112.211 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.649 HE22 HE21 ' B' ' 48' ' ' GLN . 5.2 tt0 -70.07 -42.04 73.33 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.76 0.791 . . . . 0.0 112.26 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.99 -47.48 85.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.679 -0.638 . . . . 0.0 112.128 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 33.7 mm-40 -99.85 -19.98 16.4 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.785 -1.197 . . . . 0.0 112.074 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -128.15 48.69 2.25 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.979 -1.076 . . . . 0.0 109.321 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.524 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 15.1 t -61.06 -41.03 95.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.6 -0.687 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -79.0 -40.83 30.47 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.213 -0.929 . . . . 0.0 112.266 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' B' ' 45' ' ' LEU . 38.3 t80 -83.55 -92.41 0.07 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.557 -1.339 . . . . 0.0 112.134 -178.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.639 HD11 HD13 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -32.47 153.71 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -174.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 20.6 p-10 -90.52 123.88 34.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.502 -2.624 . . . . 0.0 110.241 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -154.68 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.969 -1.082 . . . . 0.0 109.984 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.649 HE21 HE22 ' B' ' 38' ' ' GLN . 79.5 mm-40 -60.61 -44.6 96.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 112.021 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 10.3 mtmm -58.72 -17.66 24.76 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.2 90.47 1.52 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.43 82.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.864 . . . . 0.0 109.299 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.89 -38.63 73.06 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.06 91.32 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.506 -177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -36.57 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.456 -1.403 . . . . 0.0 108.769 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.16 -40.03 90.24 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.497 -0.752 . . . . 0.0 110.711 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.159 -0.963 . . . . 0.0 109.881 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.418 HD11 ' OD2' ' B' ' 46' ' ' ASP . 23.6 mt -69.35 -52.68 30.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.662 -0.649 . . . . 0.0 111.386 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.494 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -61.33 -35.68 78.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.371 -0.831 . . . . 0.0 110.225 -179.088 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -59.97 -47.5 85.54 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -58.71 -20.73 51.41 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' B' ' 63' ' ' GLU . 34.4 mt -96.17 -25.7 15.74 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.619 -0.675 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.494 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 80.9 m-20 -73.18 47.41 0.2 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.8 mm-40 -59.99 -40.62 89.76 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.463 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -77.76 -21.64 51.46 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.95 38.71 26.08 Favored Glycine 0 N--CA 1.484 1.862 0 N-CA-C 107.426 -2.27 . . . . 0.0 107.426 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.444 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 36.8 p-10 -94.39 -11.32 30.13 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 121.449 -1.03 . . . . 0.0 111.819 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.86 1.78 76.21 Favored Glycine 0 N--CA 1.503 3.116 0 O-C-N 120.862 -1.149 . . . . 0.0 110.774 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 37.1 mp0 -140.65 173.01 11.91 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.344 -1.68 . . . . 0.0 108.451 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.433 ' CG1' HD13 ' B' ' 61' ' ' LEU . 11.0 t -112.02 129.56 67.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 73' ' ' GLU . 95.8 m-20 -95.76 151.03 19.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.153 -0.967 . . . . 0.0 108.433 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 28.9 t80 -45.27 -32.34 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.132 -0.98 . . . . 0.0 110.517 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.583 ' NE2' HD21 ' A' ' 87' ' ' ASN . 61.5 mt-30 -72.93 -25.4 61.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.641 -1.287 . . . . 0.0 108.723 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.8 mt-10 -84.72 -40.01 17.83 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.658 0.742 . . . . 0.0 110.248 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.605 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 20.8 t80 -69.09 -46.89 66.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.709 -0.619 . . . . 0.0 111.203 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.728 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.6 t -59.92 -39.87 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.259 -0.9 . . . . 0.0 109.262 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.5 t -58.0 -37.29 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.855 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.817 HD11 HD12 ' B' ' 81' ' ' LEU . 3.4 tm? -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.219 -0.925 . . . . 0.0 113.004 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 79' ' ' ALA . 33.9 m -55.77 -34.69 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 120.331 -1.481 . . . . 0.0 109.528 -178.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.713 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -67.97 -38.71 83.06 Favored 'General case' 0 C--N 1.29 -1.999 0 O-C-N 121.592 -0.692 . . . . 0.0 109.372 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.448 ' O ' HD21 ' Y' ' 11' ' ' LEU . . . -77.51 -24.93 49.92 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.817 HD12 HD11 ' B' ' 77' ' ' LEU . 21.2 mt -85.97 -41.48 14.85 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.772 -1.83 . . . . 0.0 109.823 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.478 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.1 t -56.36 -43.19 78.91 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.541 178.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.478 ' N ' HG23 ' B' ' 82' ' ' THR . 16.0 m -60.01 -40.09 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.043 -1.036 . . . . 0.0 109.373 178.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.457 ' HB3' ' CZ3' ' Y' ' 7' ' ' TRP . . . -60.95 -26.96 67.89 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.05 -39.82 75.49 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.553 -0.717 . . . . 0.0 109.639 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.03 -41.1 91.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 109.076 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.552 HD21 ' NE2' ' A' ' 72' ' ' GLN . 26.8 m120 -61.36 -40.02 92.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 109.558 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 88' ' ' PHE . . . . . 0.507 ' CE1' HD12 ' Y' ' 10' ' ' ILE . 3.0 m-30 -88.12 -0.34 56.95 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.349 -0.845 . . . . 0.0 109.893 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -84.61 -36.51 21.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.983 -1.073 . . . . 0.0 109.345 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.398 -0.814 . . . . 0.0 111.273 -178.783 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 92.6 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 36.8 ptt-85 -150.02 162.94 39.4 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.248 -0.908 . . . . 0.0 109.505 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 34.5 p -89.62 114.41 26.01 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.274 -0.892 . . . . 0.0 109.852 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 7.6 pttp -60.05 -41.06 91.5 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.617 -0.677 . . . . 0.0 110.163 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.23 111.23 14.59 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 121.224 -0.923 . . . . 0.0 108.832 179.759 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -130.05 19.63 5.44 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 107.64 -1.244 . . . . 0.0 107.64 179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.711 ' O ' HG22 ' X' ' 10' ' ' ILE . 43.8 t90 -60.0 -48.78 80.3 Favored 'General case' 0 C--N 1.294 -1.812 0 CA-C-N 115.449 -0.796 . . . . 0.0 111.239 -178.558 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.588 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 1.3 t-20 -50.14 -31.52 13.7 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 119.716 -1.865 . . . . 0.0 109.035 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -61.9 -27.19 68.63 Favored 'General case' 0 C--N 1.304 -1.391 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.711 HG22 ' O ' ' X' ' 7' ' ' TRP . 6.0 tt -48.55 -40.01 10.7 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 N-CA-C 108.204 -1.035 . . . . 0.0 108.204 178.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.453 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 44.9 tp -69.97 -40.01 75.62 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.293 -0.963 . . . . 0.0 108.952 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 12.8 t . . . . . 0 N--CA 1.495 1.785 0 O-C-N 121.177 -0.952 . . . . 0.0 109.492 -179.739 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . 0.437 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 57.6 m . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 24.0 mmm180 -61.22 -39.05 88.79 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 81.3 p -61.27 -9.87 5.88 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.494 -0.754 . . . . 0.0 109.76 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.437 ' O ' ' O ' ' Y' ' 1' ' ' THR . 65.5 mttm -135.85 158.6 44.0 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.405 -0.809 . . . . 0.0 109.612 -179.265 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 26.6 pt -112.01 127.8 68.98 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 CA-C-O 121.904 0.859 . . . . 0.0 110.531 -178.579 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -111.29 21.01 16.76 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.405 -0.809 . . . . 0.0 109.158 -179.544 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.73 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.7 t90 -59.96 -50.01 75.42 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.344 -0.848 . . . . 0.0 110.844 -179.289 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.55 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 2.9 p-10 -50.27 -33.35 19.5 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 119.716 -1.865 . . . . 0.0 109.064 -179.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 38.2 tttp -59.19 -24.88 63.49 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 106.644 -1.613 . . . . 0.0 106.644 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.73 HG22 ' O ' ' Y' ' 7' ' ' TRP . 4.1 tt -53.41 -35.21 24.37 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.376 0 N-CA-C 106.975 -1.491 . . . . 0.0 106.975 177.32 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.45 HD12 ' OE2' ' B' ' 60' ' ' GLU . 0.1 OUTLIER -65.43 -40.1 92.91 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.47 -0.937 . . . . 0.0 108.47 -179.746 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 64.4 p . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.228 179.705 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.989 0 N-CA-C 119.369 2.508 . . . . 0.0 119.369 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 87.3 p -76.83 159.28 30.21 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -1.134 . . . . 0.0 109.317 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 94.2 mt-10 -47.19 -49.77 22.13 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.14 -0.975 . . . . 0.0 110.583 -178.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.66 -45.21 72.33 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 120.917 -1.114 . . . . 0.0 110.347 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.95 -39.64 86.27 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.006 -1.059 . . . . 0.0 108.866 -179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 58.1 m -48.95 -50.37 35.86 Favored 'General case' 0 C--N 1.301 -1.526 0 CA-C-O 121.884 0.85 . . . . 0.0 110.069 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.76 -27.7 66.14 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 112.988 0.736 . . . . 0.0 112.988 -178.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.63 -49.55 52.76 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 120.348 -1.47 . . . . 0.0 110.255 -178.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.1 mm-40 -68.44 -29.02 67.58 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 121.775 -0.578 . . . . 0.0 110.71 -178.139 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.1 OUTLIER -63.25 -57.24 11.11 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.878 -1.139 . . . . 0.0 110.22 -178.852 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.496 HD12 ' N ' ' A' ' 11' ' ' LEU . 10.1 mp -55.67 -40.11 71.85 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.251 -1.531 . . . . 0.0 110.254 -179.432 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 88.5 mt -64.22 -39.95 87.33 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.885 0 O-C-N 120.932 -1.105 . . . . 0.0 112.263 -178.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -80.62 -41.77 23.32 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 119.895 -1.753 . . . . 0.0 112.139 -178.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.463 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.9 p -60.23 -41.75 87.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.574 -1.329 . . . . 0.0 108.65 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.463 ' N ' HG13 ' A' ' 14' ' ' VAL . 4.1 t80 -60.0 -39.35 85.48 Favored 'General case' 0 C--N 1.294 -1.821 0 N-CA-C 108.961 -0.755 . . . . 0.0 108.961 179.101 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.02 -40.0 87.79 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.917 -1.114 . . . . 0.0 109.872 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.71 -55.26 27.72 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.302 -0.874 . . . . 0.0 112.905 -178.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -78.88 -42.17 27.94 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.692 -1.255 . . . . 0.0 111.654 -178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.422 ' O ' ' O ' ' A' ' 24' ' ' ASP . 4.5 t -64.16 -31.71 73.01 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 -177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.53 7.73 59.82 Favored Glycine 0 N--CA 1.501 2.967 0 O-C-N 120.521 -1.362 . . . . 0.0 112.595 -176.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.41 -59.28 1.84 Allowed 'General case' 0 N--CA 1.504 2.263 0 CA-C-N 119.262 1.531 . . . . 0.0 109.702 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -90.22 16.98 7.6 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.098 -1.001 . . . . 0.0 111.118 -178.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.512 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -164.7 -161.54 13.9 Favored Glycine 0 N--CA 1.493 2.475 0 C-N-CA 118.222 -1.942 . . . . 0.0 112.429 -179.587 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.6 m-20 -59.89 143.57 51.06 Favored 'General case' 0 N--CA 1.49 1.544 0 CA-C-O 121.601 0.715 . . . . 0.0 110.011 -178.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -51.89 -51.2 58.52 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.635 -0.665 . . . . 0.0 111.113 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.562 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 54.0 t80 -113.19 17.71 18.47 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.624 -1.298 . . . . 0.0 111.845 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 tttt -137.68 146.44 43.83 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.437 -1.415 . . . . 0.0 109.928 179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.451 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.5 tp -92.81 165.98 12.65 Favored 'General case' 0 C--N 1.298 -1.654 0 CA-C-N 115.064 -0.971 . . . . 0.0 109.052 -178.349 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.538 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 58.0 m -131.75 164.34 26.2 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.226 -0.921 . . . . 0.0 109.664 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.27 -39.98 23.34 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.039 -1.038 . . . . 0.0 111.124 179.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -80.64 -31.25 36.52 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 119.912 -1.742 . . . . 0.0 110.563 -179.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.538 ' HB2' ' H ' ' A' ' 29' ' ' SER . 71.7 mt-10 -70.07 -38.38 75.72 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 120.396 -1.44 . . . . 0.0 110.855 -179.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.532 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.6 pp -63.04 -45.18 93.48 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.452 -1.405 . . . . 0.0 109.813 179.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.532 ' N ' HD12 ' A' ' 33' ' ' LEU . 60.1 tttm -59.93 -38.95 83.85 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.13 -0.981 . . . . 0.0 111.24 -179.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -71.77 -42.84 66.69 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.291 -0.881 . . . . 0.0 111.635 -177.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 30.7 tp -62.96 -49.91 72.87 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.56 0.695 . . . . 0.0 110.757 -178.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.715 HD12 HD22 ' A' ' 45' ' ' LEU . 4.2 mm? -70.51 -42.53 71.17 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.507 -0.745 . . . . 0.0 112.375 -178.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.488 HE22 ' NZ ' ' A' ' 34' ' ' LYS . 1.9 pt20 -69.67 -41.68 75.17 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.938 -1.101 . . . . 0.0 112.708 -176.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.485 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -50.95 -48.76 60.9 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.48 -0.762 . . . . 0.0 111.244 -175.446 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.99 -22.73 15.14 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.248 -0.907 . . . . 0.0 111.269 -177.323 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.44 HD13 HD13 ' A' ' 45' ' ' LEU . 89.8 mt -120.0 31.15 6.65 Favored 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 108.423 -0.954 . . . . 0.0 108.423 179.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.466 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.2 OUTLIER -49.94 -61.61 2.04 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.507 0.67 . . . . 0.0 109.623 179.273 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 94.7 p -69.9 -21.19 63.33 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 112.393 0.516 . . . . 0.0 112.393 -177.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.655 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -87.91 -103.87 0.08 Allowed 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.202 -1.561 . . . . 0.0 110.151 -178.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.715 HD22 HD12 ' A' ' 37' ' ' LEU . 2.1 mp -15.42 153.52 0.0 OUTLIER 'General case' 0 N--CA 1.519 3.011 0 CA-C-O 117.697 -1.144 . . . . 0.0 110.592 175.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.588 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 0.5 OUTLIER -93.43 99.66 12.11 Favored 'General case' 0 N--CA 1.516 2.832 0 CA-C-N 123.937 3.062 . . . . 0.0 109.268 173.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 48' ' ' GLN . 45.9 t -128.39 -79.69 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.513 2.702 0 O-C-N 120.677 -1.264 . . . . 0.0 108.888 179.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.424 ' N ' HG12 ' A' ' 47' ' ' VAL . 38.4 mt-30 -61.81 -39.89 93.32 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.693 -178.095 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.466 ' CE ' ' O ' ' A' ' 42' ' ' SER . 2.3 mmtt -65.91 -18.27 65.22 Favored 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 107.267 -1.383 . . . . 0.0 107.267 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -146.53 88.65 1.79 Allowed 'General case' 0 C--N 1.297 -1.707 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.39 -32.17 64.54 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 106.873 -1.529 . . . . 0.0 106.873 179.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -60.2 -39.82 87.92 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.41 -39.94 81.07 Favored 'General case' 0 N--CA 1.493 1.69 0 C-N-CA 119.33 -0.948 . . . . 0.0 110.23 -177.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.53 -39.83 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.749 0 O-C-N 120.585 -1.322 . . . . 0.0 108.605 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 -63.17 -40.08 96.5 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 121.737 -0.602 . . . . 0.0 111.073 -178.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.21 -39.94 94.45 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 120.882 -1.136 . . . . 0.0 108.553 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.455 HD12 HD21 ' A' ' 77' ' ' LEU . 17.8 mm -63.54 -46.5 94.86 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.638 -0.664 . . . . 0.0 110.512 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.576 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.4 mmm -59.48 -39.73 84.68 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.949 -1.094 . . . . 0.0 109.252 -179.582 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -46.78 88.4 Favored 'General case' 0 C--N 1.278 -2.511 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -63.29 -31.74 72.97 Favored 'General case' 0 C--N 1.292 -1.925 0 O-C-N 121.515 -0.74 . . . . 0.0 109.182 179.273 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' A' ' 63' ' ' GLU . 40.2 mt -93.59 -17.15 23.63 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.325 -0.859 . . . . 0.0 110.665 -178.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.576 ' N ' ' O ' ' A' ' 58' ' ' MET . 96.0 m-20 -77.49 42.92 0.37 Allowed 'General case' 0 C--N 1.297 -1.685 0 N-CA-C 107.7 -1.222 . . . . 0.0 107.7 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.6 mt-10 -60.03 -41.05 91.37 Favored 'General case' 0 C--N 1.302 -1.495 0 C-N-CA 119.393 -0.923 . . . . 0.0 108.938 -178.46 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 27.4 m120 -74.78 -18.98 60.39 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 107.182 -1.414 . . . . 0.0 107.182 178.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.62 33.61 63.54 Favored Glycine 0 N--CA 1.486 2.014 0 N-CA-C 107.814 -2.114 . . . . 0.0 107.814 -178.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -93.47 -8.3 41.96 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 121.514 -0.992 . . . . 0.0 112.101 -177.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.79 11.34 80.85 Favored Glycine 0 N--CA 1.503 3.149 0 N-CA-C 109.787 -1.325 . . . . 0.0 109.787 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -133.13 173.28 11.6 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 106.718 -1.586 . . . . 0.0 106.718 179.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.451 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 5.6 t -128.53 126.99 66.42 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.147 0 O-C-N 120.738 -1.227 . . . . 0.0 108.777 179.479 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 83.9 m-20 -93.14 155.04 17.72 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.322 -0.861 . . . . 0.0 108.928 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 25.0 t80 -52.88 -21.88 4.81 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.437 -0.79 . . . . 0.0 109.672 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.574 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.1 tm0? -78.29 -23.78 47.01 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.163 0.982 . . . . 0.0 108.417 178.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -85.36 -49.18 8.34 Favored 'General case' 0 C--N 1.301 -1.501 0 CA-C-O 121.861 0.838 . . . . 0.0 109.274 178.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.527 ' CE1' HD21 ' A' ' 37' ' ' LEU . 10.2 t80 -60.12 -49.68 76.67 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.218 0.532 . . . . 0.0 111.177 -179.357 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 55.9 t -59.96 -38.58 77.17 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 O-C-N 121.178 -0.951 . . . . 0.0 109.573 -178.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.574 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.5 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.676 0 O-C-N 120.962 -1.086 . . . . 0.0 109.166 177.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.455 HD21 HD12 ' A' ' 57' ' ' ILE . 1.5 tm? -63.84 -56.38 15.82 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 121.642 -0.661 . . . . 0.0 112.694 -177.441 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.498 ' O ' HG22 ' A' ' 82' ' ' THR . 27.7 m -59.91 -36.57 67.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.662 -1.274 . . . . 0.0 109.928 -178.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.416 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -64.07 -41.35 97.37 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-O 121.555 0.693 . . . . 0.0 111.305 179.402 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.457 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.31 -24.01 46.85 Favored 'General case' 0 N--CA 1.492 1.643 0 N-CA-C 113.683 0.994 . . . . 0.0 113.683 -176.693 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.988 HD12 ' N ' ' A' ' 82' ' ' THR . 3.9 pp -81.6 -45.26 16.08 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 119.459 -2.026 . . . . 0.0 109.659 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.988 ' N ' HD12 ' A' ' 81' ' ' LEU . 1.8 t -52.89 -45.6 67.59 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.134 -0.979 . . . . 0.0 110.181 178.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 12.2 m -56.65 -40.83 71.91 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.945 -1.097 . . . . 0.0 109.055 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.426 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.07 -26.58 68.62 Favored 'General case' 0 N--CA 1.487 1.418 0 O-C-N 121.476 -0.765 . . . . 0.0 109.034 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.3 t -70.61 -42.54 70.82 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.16 -0.962 . . . . 0.0 110.035 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.76 -41.95 98.34 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.264 -0.897 . . . . 0.0 110.316 -179.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -66.94 -39.83 87.42 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.269 -0.894 . . . . 0.0 110.699 -179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 60.3 t80 -80.45 -11.04 59.73 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.113 -0.992 . . . . 0.0 109.749 -178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -78.87 -30.29 44.98 Favored 'General case' 0 C--N 1.304 -1.403 0 O-C-N 121.197 -0.939 . . . . 0.0 109.02 178.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.1 t-105 -84.41 -11.08 56.9 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.484 -0.76 . . . . 0.0 110.246 -179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -60.93 -40.01 91.6 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.053 -1.029 . . . . 0.0 109.777 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -100.74 0.02 38.09 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.305 -0.872 . . . . 0.0 109.347 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 75.2 m . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 118.028 -0.987 . . . . 0.0 109.752 -179.99 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.967 0 N-CA-C 119.607 2.603 . . . . 0.0 119.607 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -77.0 158.87 30.34 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.282 -1.128 . . . . 0.0 109.272 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -46.96 -49.99 19.74 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.067 -1.021 . . . . 0.0 110.562 -178.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.49 -44.99 73.54 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.907 -1.121 . . . . 0.0 110.401 -179.195 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -60.62 -39.11 87.01 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 121.014 -1.054 . . . . 0.0 108.833 -179.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.458 ' O ' ' OG1' ' B' ' 10' ' ' THR . 61.7 m -49.29 -50.34 39.68 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 121.903 0.859 . . . . 0.0 110.045 179.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.78 -27.35 65.81 Favored 'General case' 0 N--CA 1.494 1.753 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -178.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.5 ttt -69.79 -49.36 53.6 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 120.449 -1.407 . . . . 0.0 110.214 -178.272 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -68.69 -29.08 67.45 Favored 'General case' 0 C--N 1.292 -1.914 0 O-C-N 121.712 -0.617 . . . . 0.0 110.667 -178.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.1 OUTLIER -63.07 -57.3 11.09 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.925 -1.109 . . . . 0.0 110.134 -178.874 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.494 ' N ' HD12 ' B' ' 11' ' ' LEU . 10.1 mp -55.65 -39.91 71.51 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 120.233 -1.542 . . . . 0.0 110.192 -179.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.9 mt -64.47 -39.96 87.38 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 120.876 -1.14 . . . . 0.0 112.192 -178.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 49.5 t30 -80.49 -42.17 23.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 119.959 -1.713 . . . . 0.0 112.128 -177.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.472 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.9 p -60.01 -41.61 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 120.591 -1.318 . . . . 0.0 108.578 -179.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.472 ' N ' HG13 ' B' ' 14' ' ' VAL . 5.0 t80 -59.93 -39.68 86.29 Favored 'General case' 0 C--N 1.294 -1.811 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 178.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 50.5 t-80 -59.96 -40.09 87.87 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.975 -1.078 . . . . 0.0 109.834 179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -53.2 -55.51 23.76 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.301 -0.874 . . . . 0.0 112.973 -178.517 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -78.84 -42.63 27.07 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.828 -1.17 . . . . 0.0 111.724 -178.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 24' ' ' ASP . 4.3 t -63.72 -31.7 72.96 Favored 'General case' 0 C--N 1.294 -1.838 0 N-CA-C 114.554 1.316 . . . . 0.0 114.554 -178.198 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.52 7.64 59.79 Favored Glycine 0 N--CA 1.502 3.071 0 O-C-N 120.486 -1.384 . . . . 0.0 112.695 -176.418 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -119.48 -58.98 1.87 Allowed 'General case' 0 N--CA 1.504 2.234 0 CA-C-N 119.335 1.568 . . . . 0.0 109.71 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -90.46 17.06 7.79 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.07 -1.019 . . . . 0.0 111.235 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.511 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -164.66 -161.52 13.83 Favored Glycine 0 N--CA 1.493 2.434 0 C-N-CA 118.299 -1.905 . . . . 0.0 112.352 -179.497 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' B' ' 19' ' ' SER . 95.5 m-20 -60.02 143.65 51.36 Favored 'General case' 0 N--CA 1.489 1.511 0 CA-C-O 121.686 0.755 . . . . 0.0 110.227 -179.073 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -51.89 -51.26 58.06 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.658 -0.651 . . . . 0.0 111.2 -178.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 54.2 t80 -113.05 17.51 18.75 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.633 -1.292 . . . . 0.0 111.817 -177.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.3 tttt -137.73 146.34 43.58 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 120.393 -1.442 . . . . 0.0 110.001 179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.469 HD13 ' CE2' ' B' ' 15' ' ' PHE . 7.5 tp -92.61 166.24 12.59 Favored 'General case' 0 C--N 1.297 -1.702 0 CA-C-N 115.081 -0.963 . . . . 0.0 109.074 -178.196 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.545 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 63.1 m -132.07 164.57 25.95 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.244 -0.91 . . . . 0.0 109.698 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -48.38 -39.96 24.05 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 121.111 -0.993 . . . . 0.0 111.221 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -80.82 -31.26 35.66 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 119.875 -1.766 . . . . 0.0 110.517 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.545 ' HB2' ' H ' ' B' ' 29' ' ' SER . 71.6 mt-10 -70.01 -38.67 75.99 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.348 -1.47 . . . . 0.0 110.757 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.513 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.5 pp -62.57 -45.27 93.68 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.469 -1.394 . . . . 0.0 109.675 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.513 ' N ' HD12 ' B' ' 33' ' ' LEU . 58.6 tttm -60.37 -38.56 84.28 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.201 -0.937 . . . . 0.0 111.231 -178.689 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 87.7 m-20 -72.01 -42.51 66.31 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.313 -0.867 . . . . 0.0 111.444 -177.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 28.4 tp -63.13 -49.97 72.31 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-O 121.616 0.722 . . . . 0.0 110.583 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.689 HD12 HD22 ' B' ' 45' ' ' LEU . 4.3 mm? -70.47 -42.86 70.88 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.519 -0.738 . . . . 0.0 112.365 -178.156 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.482 HE22 ' NZ ' ' B' ' 34' ' ' LYS . 1.8 pt20 -69.33 -41.49 76.6 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.985 -1.072 . . . . 0.0 112.782 -176.308 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.479 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -51.22 -48.69 62.0 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.436 -0.79 . . . . 0.0 111.277 -175.405 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -99.97 -22.59 15.21 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 121.196 -0.94 . . . . 0.0 111.257 -177.34 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.407 HD13 HD13 ' B' ' 45' ' ' LEU . 90.5 mt -120.08 31.1 6.66 Favored 'General case' 0 N--CA 1.501 2.121 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 179.395 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.475 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.1 OUTLIER -50.03 -61.27 2.25 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-O 121.522 0.677 . . . . 0.0 109.563 179.399 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.7 p -70.32 -20.23 63.02 Favored 'General case' 0 C--N 1.298 -1.635 0 N-CA-C 112.383 0.512 . . . . 0.0 112.383 -177.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.434 ' CD1' ' C ' ' B' ' 44' ' ' PHE . 1.8 t80 -89.71 -89.7 0.15 Allowed 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.254 -1.529 . . . . 0.0 111.95 -177.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.697 HD11 HD22 ' B' ' 81' ' ' LEU . 1.4 mp -39.68 160.04 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 108.766 -0.827 . . . . 0.0 108.766 -176.695 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.637 ' OD2' ' N ' ' Y' ' 7' ' ' TRP . 0.5 OUTLIER -92.63 98.87 11.7 Favored 'General case' 0 N--CA 1.501 2.09 0 CA-C-N 121.944 2.157 . . . . 0.0 109.094 177.286 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 47.7 t -128.45 -79.11 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.45 0 O-C-N 121.061 -1.024 . . . . 0.0 108.863 179.002 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 38.6 mt-30 -62.21 -39.95 94.47 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.7 -178.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.475 ' CE ' ' O ' ' B' ' 42' ' ' SER . 2.1 mmtt -65.75 -18.39 65.3 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 107.281 -1.377 . . . . 0.0 107.281 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 75.0 m-20 -146.44 88.59 1.79 Allowed 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 178.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.47 -32.02 64.57 Favored 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.416 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -60.26 -39.78 87.98 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 176.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -41.02 81.79 Favored 'General case' 0 N--CA 1.491 1.616 0 C-N-CA 119.19 -1.004 . . . . 0.0 109.926 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.15 -39.53 80.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 120.476 -1.39 . . . . 0.0 108.889 179.653 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -63.14 -39.88 95.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.721 -0.612 . . . . 0.0 111.041 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -62.26 -40.14 95.2 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.887 -1.133 . . . . 0.0 108.628 -179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.476 HD12 HD21 ' B' ' 77' ' ' LEU . 19.9 mm -63.57 -46.05 96.01 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.617 0 O-C-N 121.576 -0.703 . . . . 0.0 110.487 179.476 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.579 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.3 mmm -59.72 -39.79 85.85 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.966 -1.084 . . . . 0.0 109.298 -179.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.06 -46.66 88.81 Favored 'General case' 0 C--N 1.279 -2.48 0 N-CA-C 107.937 -1.134 . . . . 0.0 107.937 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.45 ' OE2' HD12 ' Y' ' 11' ' ' LEU . 89.3 tt0 -64.34 -29.5 70.57 Favored 'General case' 0 C--N 1.291 -1.968 0 O-C-N 121.64 -0.662 . . . . 0.0 109.496 179.279 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.468 ' C ' ' H ' ' B' ' 63' ' ' GLU . 38.5 mt -95.11 -17.43 21.83 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.661 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.579 ' N ' ' O ' ' B' ' 58' ' ' MET . 95.9 m-20 -77.28 42.73 0.35 Allowed 'General case' 0 C--N 1.299 -1.623 0 N-CA-C 107.679 -1.23 . . . . 0.0 107.679 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.468 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.11 -40.78 90.89 Favored 'General case' 0 C--N 1.301 -1.527 0 C-N-CA 119.369 -0.932 . . . . 0.0 108.987 -178.49 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 27.1 m120 -75.24 -18.96 59.99 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.81 33.42 63.1 Favored Glycine 0 N--CA 1.486 1.982 0 N-CA-C 107.686 -2.165 . . . . 0.0 107.686 -178.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -93.25 -8.52 42.01 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.637 -0.92 . . . . 0.0 112.012 -177.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 74.04 11.33 81.5 Favored Glycine 0 N--CA 1.501 2.971 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -133.22 173.6 11.28 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.452 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 5.1 t -128.57 127.12 66.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.737 -1.227 . . . . 0.0 108.806 179.591 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 82.8 m-20 -93.61 154.67 17.72 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.307 -0.871 . . . . 0.0 108.967 -179.549 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -52.51 -22.12 4.52 Favored 'General case' 0 N--CA 1.487 1.4 0 O-C-N 121.544 -0.723 . . . . 0.0 109.617 -178.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.54 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.1 tm0? -78.17 -23.71 47.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 122.154 0.978 . . . . 0.0 108.513 178.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 79.5 mt-10 -85.59 -49.01 8.36 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 121.833 0.825 . . . . 0.0 109.228 179.064 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.568 ' CE1' HD21 ' B' ' 37' ' ' LEU . 11.1 t80 -60.16 -49.64 76.84 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-O 121.256 0.551 . . . . 0.0 111.065 -179.309 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.408 HG12 ' HB1' ' A' ' 79' ' ' ALA . 52.2 t -60.04 -38.36 76.49 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.636 0 O-C-N 121.095 -1.003 . . . . 0.0 109.562 -179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.54 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.5 t -60.25 -39.87 82.03 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.614 0 O-C-N 120.863 -1.148 . . . . 0.0 109.117 177.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.476 HD21 HD12 ' B' ' 57' ' ' ILE . 1.5 tm? -63.62 -56.4 16.1 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 121.571 -0.705 . . . . 0.0 112.747 -177.602 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.493 ' O ' HG22 ' B' ' 82' ' ' THR . 35.5 m -60.04 -36.02 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.04 0 O-C-N 120.643 -1.285 . . . . 0.0 109.878 -178.679 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.408 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -64.53 -41.54 96.3 Favored 'General case' 0 C--N 1.289 -2.062 0 CA-C-O 121.527 0.68 . . . . 0.0 111.293 179.463 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.455 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.27 -23.77 47.11 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 113.757 1.021 . . . . 0.0 113.757 -176.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.995 HD12 ' N ' ' B' ' 82' ' ' THR . 4.1 pp -82.14 -44.23 16.73 Favored 'General case' 0 N--CA 1.51 2.538 0 O-C-N 119.417 -2.052 . . . . 0.0 109.721 -179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.995 ' N ' HD12 ' B' ' 81' ' ' LEU . 1.9 t -54.03 -45.09 71.5 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.018 -1.051 . . . . 0.0 110.007 179.057 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 13.6 m -57.01 -40.57 73.68 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 121.029 -1.044 . . . . 0.0 109.125 177.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.432 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.27 -26.72 68.62 Favored 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 109.015 -0.735 . . . . 0.0 109.015 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -70.57 -42.65 70.82 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.173 -0.954 . . . . 0.0 110.084 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -61.52 -42.18 98.42 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.306 -0.871 . . . . 0.0 110.264 -179.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -66.68 -40.04 88.37 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.239 -0.913 . . . . 0.0 110.718 -179.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 59.9 t80 -80.31 -10.97 59.76 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.117 -0.989 . . . . 0.0 109.751 -178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -79.08 -29.97 43.68 Favored 'General case' 0 N--CA 1.487 1.391 0 O-C-N 121.188 -0.945 . . . . 0.0 108.899 178.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.0 t-105 -84.55 -11.16 56.59 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.498 -0.751 . . . . 0.0 110.182 -179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 67.8 mm-40 -60.71 -40.42 92.21 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.969 -1.082 . . . . 0.0 109.773 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.4 m120 -100.34 -0.12 38.95 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.284 -0.885 . . . . 0.0 109.357 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 74.5 m . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.797 -179.893 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 13.4 t . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 22.4 tpt180 -59.92 -48.02 83.41 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 121.208 -0.933 . . . . 0.0 109.594 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . 0.544 HG23 ' O ' ' X' ' 3' ' ' THR . 5.0 t -174.08 112.41 0.18 Allowed 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.295 -0.878 . . . . 0.0 109.586 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.466 ' O ' ' O ' ' X' ' 3' ' ' THR . 0.0 OUTLIER 51.91 106.04 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.28 -0.888 . . . . 0.0 110.078 179.304 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.499 ' O ' ' N ' ' X' ' 7' ' ' TRP . 10.7 pt -60.01 -40.02 81.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.545 0 O-C-N 121.147 -0.97 . . . . 0.0 109.555 179.718 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.443 ' OD1' ' OD2' ' A' ' 50' ' ' ASP . 32.6 m-20 43.44 19.71 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.196 -0.94 . . . . 0.0 110.327 179.828 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.68 ' CZ3' HD22 ' A' ' 81' ' ' LEU . 39.4 t90 -60.17 -49.97 75.51 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.156 0.979 . . . . 0.0 110.079 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.783 ' ND2' HD21 ' A' ' 81' ' ' LEU . 0.3 OUTLIER -54.24 -30.17 49.36 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.595 -1.315 . . . . 0.0 108.959 -179.614 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.626 ' NZ ' ' NZ ' ' A' ' 56' ' ' LYS . 10.1 ttmm -59.93 -25.08 64.87 Favored 'General case' 0 C--N 1.296 -1.759 0 N-CA-C 106.722 -1.584 . . . . 0.0 106.722 178.244 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.662 HG22 ' O ' ' X' ' 7' ' ' TRP . 5.5 tt -54.94 -39.37 48.76 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 N-CA-C 107.229 -1.397 . . . . 0.0 107.229 178.559 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.423 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 55.6 tp -66.18 -41.45 90.27 Favored 'General case' 0 N--CA 1.49 1.565 0 C-N-CA 119.533 -0.867 . . . . 0.0 109.296 179.508 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.4 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 12.2 t . . . . . 0 N--CA 1.49 1.55 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.407 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.364 0.602 . . . . 0.0 109.623 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -69.97 -26.87 64.3 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.414 -0.804 . . . . 0.0 110.234 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 6.9 p -114.86 135.32 54.32 Favored 'General case' 0 N--CA 1.502 2.147 0 O-C-N 121.373 -0.83 . . . . 0.0 109.797 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.497 ' HD2' ' H ' ' Y' ' 4' ' ' LYS . 0.0 OUTLIER -84.8 160.46 20.23 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.465 -0.772 . . . . 0.0 109.08 179.734 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.508 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.2 pt -95.43 127.25 47.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 93.1 m-20 -107.18 18.35 21.8 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.225 -0.922 . . . . 0.0 108.69 -179.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.671 ' O ' HG22 ' Y' ' 10' ' ' ILE . 41.0 t90 -60.02 -50.07 75.18 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.598 -0.689 . . . . 0.0 111.838 -178.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.679 ' ND2' HD21 ' B' ' 81' ' ' LEU . 0.3 OUTLIER -54.53 -33.14 59.48 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 119.597 -1.94 . . . . 0.0 109.158 -178.814 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 3.5 ttpm? -59.97 -24.29 64.3 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 106.74 -1.578 . . . . 0.0 106.74 178.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.671 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -51.3 -37.33 18.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 178.064 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.412 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 58.3 tp -64.16 -40.17 95.57 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 178.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 8.2 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 117.919 -1.039 . . . . 0.0 109.378 179.594 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.884 0 N-CA-C 119.571 2.588 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -76.72 156.6 32.37 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.209 -1.171 . . . . 0.0 109.42 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -42.37 -57.4 2.61 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.324 -0.86 . . . . 0.0 110.701 -177.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.0 mt -66.21 -41.06 90.68 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.03 -1.044 . . . . 0.0 110.004 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -63.47 -32.84 74.41 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.037 -1.039 . . . . 0.0 109.634 -178.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.462 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.4 m -59.15 -47.99 83.25 Favored 'General case' 0 C--N 1.301 -1.511 0 CA-C-O 121.927 0.87 . . . . 0.0 109.339 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.61 -28.2 68.3 Favored 'General case' 0 N--CA 1.49 1.554 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.52 -178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.0 ttt -70.63 -48.43 55.08 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.452 -1.405 . . . . 0.0 110.44 -178.021 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.96 -25.84 63.82 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.705 -0.622 . . . . 0.0 110.359 -177.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.462 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -66.94 -57.95 5.92 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 120.953 -1.092 . . . . 0.0 109.765 -179.548 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 11' ' ' LEU . 8.9 mp -54.2 -39.98 67.18 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.222 -1.549 . . . . 0.0 110.294 -179.379 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -67.84 -40.02 82.88 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.038 -1.039 . . . . 0.0 112.63 -177.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -80.66 -42.65 21.7 Favored 'General case' 0 N--CA 1.505 2.323 0 O-C-N 119.891 -1.755 . . . . 0.0 112.304 -177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.475 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.7 p -59.9 -40.63 83.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.701 -1.249 . . . . 0.0 108.4 -179.438 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.65 ' CE2' HD13 ' A' ' 28' ' ' LEU . 9.1 t80 -60.48 -39.62 88.33 Favored 'General case' 0 C--N 1.294 -1.846 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 178.403 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.1 t60 -60.02 -39.94 87.57 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.897 -1.127 . . . . 0.0 110.599 178.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.21 -56.34 23.03 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 113.539 0.94 . . . . 0.0 113.539 -177.694 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.9 m-70 -78.66 -45.15 22.08 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 120.973 -1.08 . . . . 0.0 110.694 -178.247 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.486 ' O ' ' O ' ' A' ' 24' ' ' ASP . 61.3 p -60.04 -26.58 66.23 Favored 'General case' 0 C--N 1.292 -1.928 0 O-C-N 121.741 -0.599 . . . . 0.0 112.515 -179.667 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.93 3.96 57.39 Favored Glycine 0 N--CA 1.5 2.942 0 O-C-N 120.793 -1.192 . . . . 0.0 111.346 -177.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' A' ' 23' ' ' GLY . 67.2 mttm -124.22 -65.15 1.07 Allowed 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.311 -1.111 . . . . 0.0 108.945 179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.9 20.7 0.04 OUTLIER 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.186 -0.946 . . . . 0.0 109.891 -179.214 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 175.08 -174.29 46.68 Favored Glycine 0 N--CA 1.491 2.303 0 C-N-CA 118.721 -1.705 . . . . 0.0 112.317 179.514 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 36.8 t0 -39.29 152.34 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.556 0.693 . . . . 0.0 110.153 -178.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.526 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 3.5 mptp? -52.08 -40.01 60.58 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.548 -0.72 . . . . 0.0 112.363 -176.608 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -135.89 35.99 2.85 Favored 'General case' 0 N--CA 1.51 2.552 0 O-C-N 120.309 -1.495 . . . . 0.0 112.348 -178.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 39.2 tttt -140.37 147.02 39.16 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.653 -1.279 . . . . 0.0 109.493 178.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.65 HD13 ' CE2' ' A' ' 15' ' ' PHE . 1.0 OUTLIER -94.28 162.38 13.87 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 122.067 0.937 . . . . 0.0 108.503 -179.71 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.575 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.7 t -130.66 161.04 32.51 Favored 'General case' 0 C--N 1.288 -2.093 0 N-CA-C 105.913 -1.884 . . . . 0.0 105.913 178.04 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 29' ' ' SER . 55.7 tttt -47.08 -34.09 5.57 Favored 'General case' 0 N--CA 1.497 1.921 0 C-N-CA 117.668 -1.613 . . . . 0.0 111.48 -179.592 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -81.02 -30.05 35.01 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.195 -1.566 . . . . 0.0 110.545 -179.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.575 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.7 mt-10 -73.59 -39.95 64.24 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.405 -1.434 . . . . 0.0 110.719 -179.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.601 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.6 pp -59.94 -44.87 94.11 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.493 -1.38 . . . . 0.0 108.747 178.695 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.601 ' N ' HD12 ' A' ' 33' ' ' LEU . 83.6 tttt -63.6 -39.96 95.7 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.79 -0.569 . . . . 0.0 111.961 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 120.743 -1.223 . . . . 0.0 110.859 -178.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.538 HD23 ' CE1' ' A' ' 74' ' ' PHE . 52.3 tp -63.49 -41.86 98.56 Favored 'General case' 0 C--N 1.289 -2.035 0 CA-C-O 121.499 0.666 . . . . 0.0 110.842 -178.59 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.42 HD21 ' CE1' ' A' ' 74' ' ' PHE . 89.5 mt -79.07 -46.85 17.26 Favored 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 113.816 1.043 . . . . 0.0 113.816 -177.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' CG ' ' N ' ' A' ' 39' ' ' THR . 2.5 pt20 -65.26 -39.9 93.23 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-O 121.915 0.865 . . . . 0.0 112.981 -176.221 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.442 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 72.5 m -52.65 -45.25 66.64 Favored 'General case' 0 C--N 1.299 -1.614 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.836 -175.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -101.61 -16.88 16.59 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.082 -1.011 . . . . 0.0 111.778 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.561 HD13 HD13 ' A' ' 45' ' ' LEU . 43.2 mt -132.9 50.0 2.27 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.88 -1.138 . . . . 0.0 109.286 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.507 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 25.8 p -63.0 -49.83 73.14 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.414 -0.804 . . . . 0.0 110.699 -179.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 43.8 t -68.39 -39.95 81.52 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.155 -0.965 . . . . 0.0 111.688 -178.229 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.588 ' O ' ' C ' ' A' ' 45' ' ' LEU . 13.9 t80 -83.83 -106.18 0.04 OUTLIER 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.631 -1.293 . . . . 0.0 111.4 -178.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.588 ' C ' ' O ' ' A' ' 44' ' ' PHE . 3.8 mp -9.69 127.65 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.237 0 CA-C-O 114.906 -2.473 . . . . 0.0 109.774 177.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 39.6 t0 -91.13 117.1 29.34 Favored 'General case' 0 N--CA 1.525 3.3 1 CA-C-N 127.9 4.864 . . . . 0.0 110.067 177.733 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.478 HG23 ' N ' ' A' ' 48' ' ' GLN . 21.3 m -148.76 -40.19 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.77 -1.206 . . . . 0.0 110.129 178.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.478 ' N ' HG23 ' A' ' 47' ' ' VAL . 13.2 pt20 -94.43 -40.37 9.95 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.044 -1.035 . . . . 0.0 111.806 -178.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.507 ' CE ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.1 -52.38 65.57 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 105.984 -1.858 . . . . 0.0 105.984 178.362 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.443 ' OD2' ' OD1' ' X' ' 6' ' ' ASP . 81.5 m-20 -104.37 95.06 5.68 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 179.148 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.91 -33.6 72.09 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 106.301 -1.74 . . . . 0.0 106.301 178.691 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.41 ' OD1' ' O ' ' A' ' 52' ' ' ASP . 50.8 t0 -59.91 -38.35 82.05 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 177.02 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.95 -40.85 90.4 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 118.59 -1.244 . . . . 0.0 109.563 -177.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -34.04 60.82 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 120.594 -1.316 . . . . 0.0 108.616 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.415 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 61.3 t0 -65.68 -40.01 91.9 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.977 -1.077 . . . . 0.0 110.496 -178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.626 ' NZ ' ' NZ ' ' X' ' 9' ' ' LYS . 4.8 mmmm -69.47 -42.96 74.15 Favored 'General case' 0 N--CA 1.5 2.061 0 O-C-N 121.202 -0.936 . . . . 0.0 110.557 -178.665 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -66.16 -55.76 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.726 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 18.9 ttt -59.9 -32.42 70.73 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.574 -0.704 . . . . 0.0 109.67 -179.112 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.04 -49.78 76.32 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.301 -179.323 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -70.04 -24.91 63.34 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 108.315 -0.995 . . . . 0.0 108.315 178.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.754 HD11 ' O ' ' A' ' 73' ' ' GLU . 5.5 tp -81.33 -15.82 54.22 Favored 'General case' 0 N--CA 1.49 1.542 0 N-CA-C 107.822 -1.177 . . . . 0.0 107.822 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 55.3 t0 -90.75 65.08 5.77 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.009 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.44 -35.59 81.37 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 121.794 -0.566 . . . . 0.0 110.107 -177.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.537 HD21 ' CG ' ' A' ' 66' ' ' ASP . 25.7 p-10 -71.54 -12.88 61.6 Favored 'General case' 0 C--N 1.305 -1.354 0 N-CA-C 106.892 -1.521 . . . . 0.0 106.892 179.254 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.26 24.51 68.33 Favored Glycine 0 N--CA 1.484 1.893 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 177.688 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.537 ' CG ' HD21 ' A' ' 64' ' ' ASN . 32.5 p-10 -93.71 -117.36 0.09 Allowed 'General case' 0 N--CA 1.498 1.968 0 N-CA-C 107.322 -1.362 . . . . 0.0 107.322 178.847 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.535 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -158.76 26.8 0.39 Allowed Glycine 0 N--CA 1.493 2.439 0 N-CA-C 108.555 -1.818 . . . . 0.0 108.555 178.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -133.14 173.93 10.91 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.5 t -125.16 129.78 73.16 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.381 0 O-C-N 120.593 -1.317 . . . . 0.0 109.011 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -96.03 149.86 21.12 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.82 -1.175 . . . . 0.0 108.289 178.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -45.32 -31.94 1.81 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.097 -1.002 . . . . 0.0 110.012 -178.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.506 ' O ' HG23 ' A' ' 76' ' ' VAL . 76.3 mt-30 -69.97 -33.15 71.7 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 120.603 -1.311 . . . . 0.0 108.328 178.306 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.754 ' O ' HD11 ' A' ' 61' ' ' LEU . 51.9 mt-10 -78.63 -49.36 13.35 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-N 115.469 -0.787 . . . . 0.0 109.823 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.538 ' CE1' HD23 ' A' ' 36' ' ' LEU . 68.5 t80 -60.03 -48.78 80.29 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.193 -0.942 . . . . 0.0 112.49 -178.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 39.5 t -59.9 -34.2 55.27 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.778 0 O-C-N 121.096 -1.002 . . . . 0.0 110.406 -177.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.6 t -59.91 -40.44 82.88 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 O-C-N 120.809 -1.182 . . . . 0.0 110.198 178.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.747 HD13 ' C ' ' A' ' 77' ' ' LEU . 1.8 tm? -64.41 -48.82 73.94 Favored 'General case' 0 N--CA 1.51 2.553 0 O-C-N 120.906 -1.121 . . . . 0.0 111.922 -179.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.482 ' N ' HD13 ' A' ' 77' ' ' LEU . 1.5 t -59.92 -40.06 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 O-C-N 120.781 -1.199 . . . . 0.0 109.739 -178.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.12 -41.98 97.02 Favored 'General case' 0 C--N 1.289 -2.028 0 CA-C-O 121.632 0.73 . . . . 0.0 111.738 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.416 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.6 -23.28 49.91 Favored 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 113.592 0.96 . . . . 0.0 113.592 -176.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.783 HD21 ' ND2' ' X' ' 8' ' ' ASN . 12.1 mt -80.84 -41.39 23.28 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 119.439 -2.038 . . . . 0.0 109.707 179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 1.7 t -55.45 -45.1 76.88 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.238 -0.914 . . . . 0.0 109.983 179.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.428 HG23 ' N ' ' A' ' 84' ' ' ALA . 11.6 m -60.03 -40.76 84.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 121.136 -0.978 . . . . 0.0 109.964 178.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.428 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -61.52 -26.3 67.83 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.483 -0.761 . . . . 0.0 109.136 -179.553 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 34.4 t -72.49 -47.06 51.69 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.574 -0.704 . . . . 0.0 110.765 -179.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -63.22 -42.54 99.28 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.99 -1.069 . . . . 0.0 110.613 -179.383 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -61.63 -40.02 93.4 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 121.286 -0.884 . . . . 0.0 110.987 -178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 64.9 t80 -88.78 -9.92 50.09 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.03 -1.044 . . . . 0.0 110.112 -178.753 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.442 ' O ' ' OD1' ' A' ' 92' ' ' ASN . 64.7 t80 -73.43 -37.27 65.93 Favored 'General case' 0 C--N 1.301 -1.517 0 O-C-N 121.224 -0.922 . . . . 0.0 108.887 179.562 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.5 m95 -80.5 -10.25 59.75 Favored 'General case' 0 N--CA 1.487 1.393 0 O-C-N 121.419 -0.801 . . . . 0.0 110.518 -179.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 67.1 mm-40 -67.6 -39.96 84.75 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 120.938 -1.101 . . . . 0.0 109.064 179.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' A' ' 89' ' ' PHE . 50.6 p30 -92.7 0.05 57.36 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.484 -0.76 . . . . 0.0 109.836 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.9 m . . . . . 0 N--CA 1.493 1.682 0 O-C-N 121.082 -1.011 . . . . 0.0 109.624 -179.856 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.955 0 N-CA-C 119.614 2.606 . . . . 0.0 119.614 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 31.9 t -76.96 156.41 31.97 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.156 -1.202 . . . . 0.0 109.332 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 79.0 mm-40 -42.03 -57.35 2.48 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.371 -0.831 . . . . 0.0 110.871 -178.046 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 11.3 mt -66.53 -40.88 89.34 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.952 -1.093 . . . . 0.0 110.004 -179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -63.77 -32.54 74.07 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.06 -1.025 . . . . 0.0 109.57 -178.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.451 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -59.39 -47.82 83.99 Favored 'General case' 0 C--N 1.301 -1.521 0 CA-C-O 121.972 0.891 . . . . 0.0 109.279 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.97 -27.75 67.7 Favored 'General case' 0 N--CA 1.488 1.467 0 CA-C-N 115.857 -0.611 . . . . 0.0 112.59 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 23.9 ttt -70.74 -48.28 55.32 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 120.528 -1.357 . . . . 0.0 110.34 -178.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.0 -25.87 63.8 Favored 'General case' 0 C--N 1.294 -1.844 0 O-C-N 121.604 -0.685 . . . . 0.0 110.412 -177.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -66.94 -57.88 6.05 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.965 -1.085 . . . . 0.0 109.803 -179.462 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.433 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.9 mp -54.26 -40.12 67.49 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 120.123 -1.61 . . . . 0.0 110.243 -179.419 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 82.7 mt -67.73 -39.98 83.04 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.739 0 O-C-N 120.961 -1.087 . . . . 0.0 112.614 -177.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -80.68 -42.59 21.77 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 119.94 -1.725 . . . . 0.0 112.263 -177.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.487 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.2 p -60.02 -40.81 84.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.627 0 O-C-N 120.726 -1.234 . . . . 0.0 108.286 -179.372 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.668 ' CE2' HD13 ' B' ' 28' ' ' LEU . 10.1 t80 -60.3 -39.67 87.76 Favored 'General case' 0 C--N 1.294 -1.833 0 N-CA-C 109.256 -0.646 . . . . 0.0 109.256 178.376 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -60.07 -39.98 87.92 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 120.758 -1.214 . . . . 0.0 110.462 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.12 -56.28 23.78 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 113.597 0.962 . . . . 0.0 113.597 -177.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 -78.73 -45.09 21.96 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.994 -1.066 . . . . 0.0 110.698 -178.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 59.8 p -59.92 -27.13 66.5 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.792 -0.568 . . . . 0.0 112.47 -179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.78 4.26 57.73 Favored Glycine 0 N--CA 1.501 2.971 0 O-C-N 120.803 -1.186 . . . . 0.0 111.386 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.487 ' C ' ' H ' ' B' ' 23' ' ' GLY . 68.6 mttm -124.05 -65.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.971 0 O-C-N 121.273 -1.134 . . . . 0.0 108.818 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -69.94 20.72 0.04 OUTLIER 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.123 -0.986 . . . . 0.0 110.044 -179.378 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 175.36 -174.05 46.59 Favored Glycine 0 N--CA 1.49 2.279 0 C-N-CA 118.652 -1.737 . . . . 0.0 112.319 179.47 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 37.2 t0 -39.57 152.31 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.746 0 CA-C-O 121.522 0.677 . . . . 0.0 110.225 -179.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.518 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 3.5 mptp? -51.93 -40.09 60.2 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.533 -0.73 . . . . 0.0 112.354 -176.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.0 m-85 -135.71 35.65 2.9 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.356 -1.465 . . . . 0.0 112.372 -178.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 41.7 tttt -140.2 146.7 39.05 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.651 -1.281 . . . . 0.0 109.503 178.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.668 HD13 ' CE2' ' B' ' 15' ' ' PHE . 1.0 OUTLIER -93.81 162.31 13.97 Favored 'General case' 0 C--N 1.3 -1.586 0 CA-C-O 122.109 0.957 . . . . 0.0 108.594 -179.917 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.567 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.6 t -130.55 161.1 32.25 Favored 'General case' 0 C--N 1.29 -2.021 0 N-CA-C 105.891 -1.892 . . . . 0.0 105.891 177.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -47.19 -34.05 5.95 Favored 'General case' 0 N--CA 1.498 1.952 0 C-N-CA 117.646 -1.621 . . . . 0.0 111.453 -179.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 61.3 tttp -81.11 -29.99 34.72 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.151 -1.593 . . . . 0.0 110.409 -179.489 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.567 ' HB2' ' H ' ' B' ' 29' ' ' SER . 49.4 mt-10 -73.53 -40.05 64.3 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.483 -1.386 . . . . 0.0 110.68 -179.515 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.607 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.6 pp -59.91 -44.66 94.14 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.547 -1.345 . . . . 0.0 108.773 178.761 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.607 ' N ' HD12 ' B' ' 33' ' ' LEU . 83.1 tttt -63.7 -39.97 95.62 Favored 'General case' 0 N--CA 1.497 1.876 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.999 -178.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -70.07 -40.01 75.28 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.634 -1.291 . . . . 0.0 110.886 -179.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.518 HD23 ' CE1' ' B' ' 74' ' ' PHE . 50.2 tp -63.64 -41.65 98.22 Favored 'General case' 0 C--N 1.29 -2.01 0 CA-C-O 121.549 0.69 . . . . 0.0 110.808 -178.446 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.417 HD21 ' CE1' ' B' ' 74' ' ' PHE . 89.2 mt -79.13 -46.84 17.2 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 113.728 1.01 . . . . 0.0 113.728 -177.74 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.454 ' CG ' ' N ' ' B' ' 39' ' ' THR . 2.5 pt20 -65.22 -39.97 93.47 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-O 121.878 0.847 . . . . 0.0 112.904 -176.191 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.454 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 69.5 m -52.45 -45.52 66.06 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.104 -0.639 . . . . 0.0 110.872 -175.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -101.52 -16.9 16.64 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 121.08 -1.012 . . . . 0.0 111.773 -177.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.544 HD13 HD13 ' B' ' 45' ' ' LEU . 40.4 mt -132.74 49.96 2.27 Favored 'General case' 0 N--CA 1.504 2.259 0 O-C-N 120.886 -1.133 . . . . 0.0 109.214 -179.647 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.519 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 22.8 p -63.03 -49.71 73.55 Favored 'General case' 0 C--N 1.304 -1.402 0 O-C-N 121.291 -0.881 . . . . 0.0 110.673 -179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.4 t -68.19 -39.97 82.32 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.191 -0.943 . . . . 0.0 111.814 -178.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.539 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.2 t80 -84.53 -92.29 0.08 Allowed 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.796 -1.19 . . . . 0.0 112.778 -178.01 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.544 HD13 HD13 ' B' ' 41' ' ' LEU . 3.0 mp -33.52 134.86 0.13 Allowed 'General case' 0 N--CA 1.515 2.798 0 CA-C-O 116.87 -1.538 . . . . 0.0 108.494 -174.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.508 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.3 t0 -90.82 116.34 28.58 Favored 'General case' 0 N--CA 1.512 2.673 0 CA-C-N 125.033 3.56 . . . . 0.0 109.726 179.829 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 48' ' ' GLN . 23.0 m -148.66 -39.97 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 O-C-N 121.011 -1.056 . . . . 0.0 109.888 178.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.467 ' N ' HG23 ' B' ' 47' ' ' VAL . 13.0 pt20 -94.38 -40.5 9.9 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.155 -0.966 . . . . 0.0 111.842 -178.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.519 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -59.98 -52.55 64.92 Favored 'General case' 0 N--CA 1.507 2.391 0 N-CA-C 105.949 -1.871 . . . . 0.0 105.949 178.405 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 81.9 m-20 -104.47 95.37 5.88 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.856 -0.794 . . . . 0.0 108.856 179.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -33.29 71.78 Favored 'General case' 0 C--N 1.303 -1.428 0 N-CA-C 106.2 -1.778 . . . . 0.0 106.2 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 52' ' ' ASP . 50.3 t0 -59.94 -38.29 81.98 Favored 'General case' 0 C--N 1.301 -1.505 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 177.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.28 93.83 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 118.505 -1.278 . . . . 0.0 109.216 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.27 -34.55 57.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 120.558 -1.339 . . . . 0.0 108.746 179.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.405 ' OD1' ' O ' ' B' ' 55' ' ' ASP . 61.2 t0 -65.52 -40.01 92.47 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.967 -1.083 . . . . 0.0 110.505 -178.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -69.28 -43.27 74.22 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.224 -0.923 . . . . 0.0 110.505 -178.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.94 -55.8 17.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.702 0 O-C-N 121.523 -0.736 . . . . 0.0 110.166 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 19.1 ttt -59.97 -32.52 70.9 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.524 -0.735 . . . . 0.0 109.691 -179.105 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.9 -49.99 75.53 Favored 'General case' 0 C--N 1.293 -1.849 0 C-N-CA 118.89 -1.124 . . . . 0.0 108.324 -179.383 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -70.53 -22.92 62.56 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.136 -0.978 . . . . 0.0 108.697 178.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.744 HD11 ' O ' ' B' ' 73' ' ' GLU . 5.5 tp -82.94 -15.9 49.5 Favored 'General case' 0 N--CA 1.49 1.547 0 N-CA-C 107.661 -1.237 . . . . 0.0 107.661 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.529 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 53.4 t0 -90.64 65.1 5.88 Favored 'General case' 0 C--N 1.302 -1.47 0 N-CA-C 105.886 -1.894 . . . . 0.0 105.886 176.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -65.49 -35.56 81.24 Favored 'General case' 0 C--N 1.304 -1.408 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.078 -177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.533 HD21 ' CG ' ' B' ' 66' ' ' ASP . 25.1 p-10 -71.51 -12.97 61.65 Favored 'General case' 0 C--N 1.303 -1.413 0 N-CA-C 106.862 -1.533 . . . . 0.0 106.862 179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.76 25.22 67.82 Favored Glycine 0 N--CA 1.485 1.905 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 177.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.533 ' CG ' HD21 ' B' ' 64' ' ' ASN . 32.5 p-10 -93.97 -117.31 0.1 Allowed 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 178.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.532 ' H ' ' CG ' ' B' ' 66' ' ' ASP . . . -158.89 26.85 0.39 Allowed Glycine 0 N--CA 1.493 2.449 0 N-CA-C 108.454 -1.858 . . . . 0.0 108.454 178.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 57.4 mm-40 -133.14 173.87 10.98 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -124.98 129.79 73.35 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.413 0 O-C-N 120.601 -1.312 . . . . 0.0 109.066 178.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.528 ' O ' ' N ' ' B' ' 73' ' ' GLU . 96.0 m-20 -95.94 149.56 21.42 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 120.812 -1.18 . . . . 0.0 108.331 178.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.4 ' CE2' HG21 ' B' ' 75' ' ' VAL . 31.1 t80 -45.33 -31.62 1.69 Allowed 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.024 -1.047 . . . . 0.0 110.089 -178.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.51 ' O ' HG23 ' B' ' 76' ' ' VAL . 75.5 mt-30 -70.05 -33.19 71.63 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.673 -1.267 . . . . 0.0 108.337 178.11 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.744 ' O ' HD11 ' B' ' 61' ' ' LEU . 52.0 mt-10 -78.55 -49.34 13.49 Favored 'General case' 0 C--N 1.299 -1.605 0 CA-C-N 115.415 -0.811 . . . . 0.0 109.804 -179.843 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.518 ' CE1' HD23 ' B' ' 36' ' ' LEU . 69.6 t80 -59.85 -49.08 79.11 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.191 -0.943 . . . . 0.0 112.426 -178.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.4 HG21 ' CE2' ' B' ' 71' ' ' PHE . 39.8 t -60.02 -33.89 54.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.091 -1.006 . . . . 0.0 110.309 -177.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.51 HG23 ' O ' ' B' ' 72' ' ' GLN . 51.2 t -59.84 -40.57 83.07 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 120.889 -1.132 . . . . 0.0 110.239 178.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.738 HD13 ' C ' ' B' ' 77' ' ' LEU . 1.7 tm? -64.52 -48.82 73.68 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 120.887 -1.133 . . . . 0.0 111.989 -179.185 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.486 ' N ' HD13 ' B' ' 77' ' ' LEU . 1.4 t -59.9 -40.08 81.86 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.975 0 O-C-N 120.566 -1.334 . . . . 0.0 109.66 -178.312 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -64.17 -41.45 97.13 Favored 'General case' 0 C--N 1.29 -2.004 0 CA-C-O 121.689 0.756 . . . . 0.0 111.803 -179.432 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.412 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -78.03 -23.23 48.26 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 113.785 1.032 . . . . 0.0 113.785 -176.63 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.679 HD21 ' ND2' ' Y' ' 8' ' ' ASN . 12.3 mt -81.19 -40.66 23.54 Favored 'General case' 0 N--CA 1.511 2.598 0 O-C-N 119.392 -2.068 . . . . 0.0 109.561 179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 1.8 t -55.99 -45.19 79.09 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.268 -0.895 . . . . 0.0 109.918 179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.437 HG23 ' N ' ' B' ' 84' ' ' ALA . 11.9 m -60.0 -40.82 84.19 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.906 0 O-C-N 121.056 -1.028 . . . . 0.0 109.929 178.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.437 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -61.24 -26.41 67.73 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.465 -0.772 . . . . 0.0 109.066 -179.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 33.5 t -72.68 -47.16 49.63 Favored 'General case' 0 C--N 1.299 -1.604 0 C-N-CA 119.948 -0.701 . . . . 0.0 110.654 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 49.4 t30 -63.29 -42.12 99.04 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.1 -1.0 . . . . 0.0 110.692 -179.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -61.87 -40.01 93.91 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 121.284 -0.885 . . . . 0.0 111.063 -178.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.461 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 65.2 t80 -88.8 -9.85 50.28 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.107 -0.995 . . . . 0.0 109.984 -178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.436 ' O ' ' OD1' ' B' ' 92' ' ' ASN . 64.7 t80 -73.54 -37.15 65.69 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.219 -0.925 . . . . 0.0 109.023 179.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -80.5 -10.36 59.74 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.453 -0.78 . . . . 0.0 110.365 -179.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 68.2 mm-40 -67.37 -40.01 85.72 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.844 -1.16 . . . . 0.0 109.111 179.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 50.4 p30 -92.74 -0.02 57.34 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.383 -0.823 . . . . 0.0 109.924 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 48.0 m . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.043 -1.036 . . . . 0.0 109.553 179.987 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . 0.548 HG22 ' N ' ' X' ' 2' ' ' ARG . 59.4 m . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.548 ' N ' HG22 ' X' ' 1' ' ' THR . 74.2 ttt180 -143.3 156.45 44.72 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.053 -1.029 . . . . 0.0 109.204 -179.546 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . 0.45 HG23 ' HG2' ' X' ' 2' ' ' ARG . 18.9 p 54.03 -160.45 0.15 Allowed 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.298 -0.876 . . . . 0.0 109.582 -179.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.436 ' O ' ' O ' ' X' ' 3' ' ' THR 0.823 0.1 OUTLIER 78.61 109.45 0.07 Allowed 'General case' 1 N--CA 1.616 7.865 2 C-N-CA 108.326 -5.35 . . . . 0.0 107.931 177.726 . . . . . . . . 6 4 . 1 . 003 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.414 ' H ' HG23 ' X' ' 5' ' ' ILE . 5.1 pt -62.12 -40.01 85.98 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.513 1 CA-C-N 126.755 4.343 . . . . 0.0 110.36 170.204 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 47.35 18.37 0.1 Allowed 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.039 -1.038 . . . . 0.0 110.447 179.346 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.647 ' O ' HG22 ' X' ' 10' ' ' ILE . 32.4 t90 -60.09 -49.9 75.84 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.03 -1.044 . . . . 0.0 110.418 179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.628 ' H ' ' CG ' ' A' ' 46' ' ' ASP . 0.2 OUTLIER -51.3 -35.68 38.87 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 119.776 -1.828 . . . . 0.0 109.14 -179.646 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.42 ' HZ3' ' HD3' ' A' ' 56' ' ' LYS . 34.0 tttp -56.1 -23.4 33.85 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.749 -1.574 . . . . 0.0 106.749 179.077 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.647 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -55.07 -38.44 46.23 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.803 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 66.4 tp -59.92 -43.96 94.58 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 108.618 -0.882 . . . . 0.0 108.618 179.072 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.2 t . . . . . 0 N--CA 1.497 1.922 0 CA-C-O 117.902 -1.047 . . . . 0.0 109.26 179.852 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 1.4 t . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.229 -0.656 . . . . 0.0 109.229 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 22.9 ttm105 60.01 21.7 10.82 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.353 -0.842 . . . . 0.0 109.043 179.75 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 5.6 t -143.76 43.2 1.47 Allowed 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.342 -0.849 . . . . 0.0 109.007 179.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.449 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -93.21 13.21 21.86 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 121.283 -0.886 . . . . 0.0 109.891 -179.513 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.505 ' CG1' ' O ' ' Y' ' 5' ' ' ILE . 0.7 OUTLIER 34.69 97.08 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.25 0 CA-C-O 122.703 1.239 . . . . 0.0 110.707 -179.493 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.473 ' HB3' ' HZ2' ' Y' ' 9' ' ' LYS . 92.4 m-20 -98.14 27.87 4.35 Favored 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.612 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.5 t90 -59.97 -48.04 83.35 Favored 'General case' 0 C--N 1.301 -1.525 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.684 -178.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.467 ' H ' ' CG ' ' B' ' 46' ' ' ASP . 10.8 p-10 -49.26 -38.22 26.17 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.341 -1.474 . . . . 0.0 109.083 -179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.473 ' HZ2' ' HB3' ' Y' ' 6' ' ' ASP . 4.9 ttpm? -59.49 -24.45 63.61 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 107.493 -1.299 . . . . 0.0 107.493 -179.719 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.612 HG22 ' O ' ' Y' ' 7' ' ' TRP . 12.9 tt -52.83 -34.05 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.724 0 N-CA-C 106.128 -1.804 . . . . 0.0 106.128 177.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' B' ' 80' ' ' ALA . 0.2 OUTLIER -65.42 -38.18 89.15 Favored 'General case' 0 C--N 1.304 -1.409 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 178.791 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.7 t . . . . . 0 N--CA 1.491 1.615 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.614 179.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.571 2.589 . . . . 0.0 119.571 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.429 ' H ' ' CD ' ' A' ' 5' ' ' GLU . 39.8 m -80.39 167.61 19.99 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.132 -1.217 . . . . 0.0 109.088 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 57.4 mp0 -60.05 -43.38 95.43 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 120.893 -1.129 . . . . 0.0 111.452 -178.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.2 -41.69 89.84 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 120.371 -1.455 . . . . 0.0 111.467 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.429 ' CD ' ' H ' ' A' ' 2' ' ' SER . 14.0 pt-20 -69.95 -23.69 63.23 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.431 -1.418 . . . . 0.0 109.296 -179.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 70.1 m -59.95 -42.01 93.14 Favored 'General case' 0 C--N 1.302 -1.469 0 CA-C-O 121.877 0.846 . . . . 0.0 109.167 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -76.89 -27.6 55.05 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 112.587 0.588 . . . . 0.0 112.587 -178.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 71.1 mmm -65.78 -52.7 48.66 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 120.348 -1.47 . . . . 0.0 109.629 -177.661 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -69.14 -31.23 69.75 Favored 'General case' 0 C--N 1.289 -2.054 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.125 -177.519 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.474 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -68.17 -56.71 7.79 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 120.754 -1.216 . . . . 0.0 110.316 -178.933 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -47.71 -39.7 18.3 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 120.305 -1.497 . . . . 0.0 108.957 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 89.1 mt -68.42 -40.02 81.64 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.12 0 O-C-N 121.419 -0.801 . . . . 0.0 111.699 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 61.6 t30 -77.04 -41.66 41.62 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.014 -1.679 . . . . 0.0 112.174 -178.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.569 HG23 ' N ' ' A' ' 15' ' ' PHE . 8.6 m -60.43 -44.77 96.91 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 O-C-N 120.363 -1.461 . . . . 0.0 109.074 -179.685 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.569 ' N ' HG23 ' A' ' 14' ' ' VAL . 6.4 t80 -60.16 -40.4 89.77 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.733 -0.605 . . . . 0.0 109.726 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -61.25 -36.16 79.24 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.453 -1.404 . . . . 0.0 109.204 178.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' O ' ' A' ' 14' ' ' VAL . . . -56.08 -55.72 29.48 Favored 'General case' 0 N--CA 1.494 1.741 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -177.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.536 ' NE2' ' OD2' ' A' ' 35' ' ' ASP . 3.9 t60 -84.57 -40.05 18.01 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.801 -1.187 . . . . 0.0 111.29 -178.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 7.0 m -60.15 -29.4 68.63 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.354 -0.841 . . . . 0.0 113.026 -178.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.53 9.97 41.83 Favored Glycine 0 N--CA 1.504 3.229 0 O-C-N 120.75 -1.219 . . . . 0.0 112.717 -177.032 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -115.57 -62.52 1.58 Allowed 'General case' 0 N--CA 1.507 2.39 0 CA-C-N 119.483 1.641 . . . . 0.0 109.062 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -99.66 77.1 2.04 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 178.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.21 -155.39 26.11 Favored Glycine 0 N--CA 1.49 2.273 0 C-N-CA 119.459 -1.353 . . . . 0.0 110.892 -179.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.539 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 54.3 t0 -82.34 153.08 25.97 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.539 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.1 mtmp? -57.48 -53.74 54.72 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.134 -0.978 . . . . 0.0 112.499 -177.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.55 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 65.0 t80 -117.71 22.9 12.06 Favored 'General case' 0 N--CA 1.511 2.615 0 O-C-N 120.494 -1.379 . . . . 0.0 112.549 -177.331 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -133.01 140.01 47.52 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 120.56 -1.338 . . . . 0.0 108.239 178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.512 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.8 tp -93.96 157.72 15.97 Favored 'General case' 0 C--N 1.3 -1.586 0 N-CA-C 107.763 -1.199 . . . . 0.0 107.763 -179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.655 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 71.3 m -130.36 167.97 17.68 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.982 -1.074 . . . . 0.0 109.989 -179.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.551 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 tptt -47.75 -38.76 16.13 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.284 -0.885 . . . . 0.0 110.938 179.083 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' O ' ' OD2' ' A' ' 35' ' ' ASP . 78.1 tttt -82.15 -30.94 30.76 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.242 -1.536 . . . . 0.0 110.485 -179.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.655 ' HB2' ' H ' ' A' ' 29' ' ' SER . 46.8 mt-10 -70.03 -39.91 75.5 Favored 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.533 -1.355 . . . . 0.0 110.481 -179.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.638 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.3 pp -65.49 -42.03 92.6 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.03 -1.044 . . . . 0.0 110.52 179.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.638 ' N ' HD12 ' A' ' 33' ' ' LEU . 52.9 tttm -62.43 -38.66 90.59 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.167 -0.958 . . . . 0.0 112.038 -177.204 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.536 ' OD2' ' NE2' ' A' ' 18' ' ' HIS . 3.5 p30 -80.73 -37.69 30.1 Favored 'General case' 0 C--N 1.298 -1.642 0 O-C-N 120.983 -1.073 . . . . 0.0 111.386 -177.663 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 35' ' ' ASP . 42.6 tp -60.17 -49.74 76.45 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 120.995 -1.065 . . . . 0.0 109.216 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 4.7 mp -69.08 -42.55 76.04 Favored 'General case' 0 N--CA 1.493 1.693 0 CA-C-O 121.834 0.826 . . . . 0.0 110.573 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.4 ' NE2' ' OG ' ' A' ' 42' ' ' SER . 51.5 tp60 -69.85 -36.67 75.74 Favored 'General case' 0 C--N 1.3 -1.575 0 CA-C-O 121.518 0.675 . . . . 0.0 110.839 -178.6 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 88.6 m -59.91 -50.77 72.47 Favored 'General case' 0 N--CA 1.492 1.665 0 C-N-CA 119.258 -0.977 . . . . 0.0 112.689 -175.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 90.9 mt-10 -97.9 -13.46 21.2 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.95 -1.094 . . . . 0.0 111.571 -177.234 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 69.6 mt -128.76 44.37 2.98 Favored 'General case' 0 N--CA 1.501 2.101 0 N-CA-C 108.192 -1.04 . . . . 0.0 108.192 179.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.4 ' OG ' ' NE2' ' A' ' 38' ' ' GLN . 12.1 t -60.16 -49.61 76.96 Favored 'General case' 0 N--CA 1.487 1.399 0 CA-C-O 121.531 0.681 . . . . 0.0 110.589 -179.787 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.543 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 80.2 p -79.6 -18.65 51.14 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.758 -0.589 . . . . 0.0 111.96 -177.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.7 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.5 t80 -95.14 -105.15 0.15 Allowed 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.417 -1.427 . . . . 0.0 111.431 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.7 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.0 OUTLIER -13.54 154.07 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.025 0 CA-C-O 117.666 -1.159 . . . . 0.0 110.436 175.898 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.628 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 1.7 m-20 -92.51 112.76 24.83 Favored 'General case' 0 N--CA 1.515 2.81 0 CA-C-N 124.191 3.178 . . . . 0.0 110.158 174.282 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 75.4 t -145.0 -83.74 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.509 2.488 0 O-C-N 120.445 -1.409 . . . . 0.0 109.716 178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.599 ' NE2' ' NZ ' ' A' ' 34' ' ' LYS . 41.2 mm-40 -60.02 -40.06 88.02 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.34 -0.85 . . . . 0.0 111.48 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.543 ' NZ ' ' O ' ' A' ' 43' ' ' SER . 45.3 mtmt -67.3 -19.9 65.54 Favored 'General case' 0 C--N 1.297 -1.704 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -144.67 90.89 2.11 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.186 -1.042 . . . . 0.0 108.186 178.34 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.55 77.41 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.2 t0 -59.07 -34.03 71.49 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 177.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.82 83.74 Favored 'General case' 0 C--N 1.302 -1.465 0 C-N-CA 118.442 -1.303 . . . . 0.0 109.255 -178.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.13 -36.72 69.67 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.496 -1.378 . . . . 0.0 108.41 179.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.551 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 96.2 m-20 -67.87 -40.55 83.59 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.349 -0.844 . . . . 0.0 111.81 -178.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.42 ' HD3' ' HZ3' ' X' ' 9' ' ' LYS . 97.6 mttt -70.01 -39.95 75.54 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.953 -1.092 . . . . 0.0 110.35 -178.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.429 HD11 ' CG ' ' X' ' 8' ' ' ASN . 70.3 mt -67.67 -54.36 23.82 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 CA-C-O 121.979 0.895 . . . . 0.0 110.559 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.441 ' O ' ' N ' ' A' ' 62' ' ' ASP . 18.4 ttt -60.07 -37.21 79.23 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.687 -0.633 . . . . 0.0 109.907 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 tpmt? -59.89 -45.71 91.65 Favored 'General case' 0 C--N 1.292 -1.898 0 N-CA-C 107.298 -1.371 . . . . 0.0 107.298 -179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -58.35 -24.69 60.55 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 178.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.6 mt -95.09 -21.24 18.68 Favored 'General case' 0 N--CA 1.497 1.883 0 O-C-N 121.489 -0.757 . . . . 0.0 110.313 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' N ' ' O ' ' A' ' 58' ' ' MET . 85.3 m-20 -73.12 43.54 0.13 Allowed 'General case' 0 C--N 1.301 -1.517 0 N-CA-C 107.812 -1.181 . . . . 0.0 107.812 -179.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.2 mm-40 -60.35 -40.3 90.22 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 119.694 -0.803 . . . . 0.0 109.778 -178.076 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -77.82 -19.59 54.66 Favored 'General case' 0 C--N 1.298 -1.661 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 178.316 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.05 35.9 52.71 Favored Glycine 0 N--CA 1.486 1.968 0 N-CA-C 107.496 -2.242 . . . . 0.0 107.496 -178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 42.4 p-10 -92.68 -9.07 42.15 Favored 'General case' 0 N--CA 1.502 2.171 0 O-C-N 121.48 -1.012 . . . . 0.0 111.609 -177.341 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.13 12.49 75.87 Favored Glycine 0 N--CA 1.498 2.832 0 N-CA-C 109.508 -1.437 . . . . 0.0 109.508 -179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 86.5 mt-10 -133.39 174.29 10.56 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 107.061 -1.459 . . . . 0.0 107.061 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 16.2 t -131.51 129.39 61.87 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.166 0 O-C-N 120.813 -1.179 . . . . 0.0 109.397 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 41.3 t0 -98.79 152.75 19.36 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.034 -1.041 . . . . 0.0 109.144 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.533 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 11.2 t80 -50.38 -19.98 0.98 Allowed 'General case' 0 C--N 1.302 -1.464 0 O-C-N 121.52 -0.737 . . . . 0.0 109.042 -179.326 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.566 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 mp0 -77.88 -24.5 48.46 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.883 -1.135 . . . . 0.0 108.349 178.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 70' ' ' ASP . 80.3 mt-10 -86.98 -49.47 7.32 Favored 'General case' 0 C--N 1.303 -1.441 0 CA-C-O 121.719 0.771 . . . . 0.0 109.987 179.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.468 ' CE1' HD11 ' A' ' 37' ' ' LEU . 9.4 t80 -63.59 -47.24 82.28 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.739 -0.601 . . . . 0.0 110.671 -179.231 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.677 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.3 t -59.99 -40.07 82.03 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.674 0 O-C-N 121.028 -1.045 . . . . 0.0 109.677 -179.296 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.566 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.8 t -60.7 -40.7 85.68 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.946 -1.096 . . . . 0.0 109.921 178.247 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.692 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -63.16 -50.39 70.58 Favored 'General case' 0 N--CA 1.506 2.341 0 O-C-N 121.378 -0.826 . . . . 0.0 112.461 -178.127 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 82' ' ' THR . 13.3 m -60.0 -39.57 80.63 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.233 0 O-C-N 120.438 -1.414 . . . . 0.0 109.285 -179.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.701 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -60.05 -39.16 85.0 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 121.551 -0.718 . . . . 0.0 109.718 178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -79.46 -26.43 41.71 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 113.824 1.046 . . . . 0.0 113.824 -176.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.5 HD11 ' OD1' ' X' ' 8' ' ' ASN . 84.0 mt -84.5 -47.93 10.1 Favored 'General case' 0 N--CA 1.511 2.607 0 O-C-N 119.332 -2.105 . . . . 0.0 108.911 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.555 HG23 ' N ' ' A' ' 83' ' ' VAL . 8.8 t -47.85 -45.65 30.38 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.475 -0.766 . . . . 0.0 109.472 179.055 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.555 ' N ' HG23 ' A' ' 82' ' ' THR . 15.5 m -60.18 -41.88 88.3 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.604 0 O-C-N 121.126 -0.984 . . . . 0.0 110.467 178.104 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.427 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.03 -27.12 66.65 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.461 -0.775 . . . . 0.0 109.237 -179.134 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.89 -45.93 47.73 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.332 -0.855 . . . . 0.0 110.399 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -60.04 -41.09 91.53 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.138 -0.977 . . . . 0.0 110.279 -179.082 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.6 t-20 -59.97 -40.12 88.0 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.162 -0.961 . . . . 0.0 110.184 -179.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 35.1 m-85 -89.94 -0.8 57.78 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.128 -0.983 . . . . 0.0 109.397 -179.439 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -79.27 -19.59 50.18 Favored 'General case' 0 C--N 1.301 -1.501 0 N-CA-C 107.911 -1.144 . . . . 0.0 107.911 178.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -92.56 -2.24 56.32 Favored 'General case' 0 N--CA 1.493 1.691 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.417 ' CG ' ' N ' ' A' ' 92' ' ' ASN . 17.1 pt-20 -59.96 -40.91 90.66 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.403 -0.81 . . . . 0.0 110.455 -178.745 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.417 ' N ' ' CG ' ' A' ' 91' ' ' GLU . 97.0 m-20 -100.41 0.2 39.37 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.216 -0.927 . . . . 0.0 109.344 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.3 m . . . . . 0 N--CA 1.49 1.544 0 CA-C-O 117.948 -1.025 . . . . 0.0 109.62 179.956 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.464 2.546 . . . . 0.0 119.464 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.452 ' H ' ' CD ' ' B' ' 5' ' ' GLU . 49.7 m -80.04 167.72 20.08 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.091 -1.24 . . . . 0.0 109.257 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.6 mp0 -60.19 -43.38 95.95 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.161 -0.962 . . . . 0.0 111.347 -178.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.03 -41.86 90.35 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.353 -1.467 . . . . 0.0 111.428 -178.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.452 ' CD ' ' H ' ' B' ' 2' ' ' SER . 14.1 pt-20 -69.96 -23.45 63.19 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.364 -1.46 . . . . 0.0 109.202 -179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 62.2 m -59.96 -42.18 93.55 Favored 'General case' 0 C--N 1.3 -1.552 0 CA-C-O 122.015 0.912 . . . . 0.0 109.167 179.596 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.49 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -76.94 -27.48 54.87 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 112.623 0.601 . . . . 0.0 112.623 -178.693 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 70.6 mmm -65.63 -52.86 48.67 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.447 -1.408 . . . . 0.0 109.691 -177.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -68.83 -32.03 71.44 Favored 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.088 -177.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.48 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.71 -56.7 8.3 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.71 -1.244 . . . . 0.0 110.348 -178.913 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -47.6 -39.61 17.25 Favored 'General case' 0 N--CA 1.503 2.177 0 O-C-N 120.249 -1.532 . . . . 0.0 108.968 179.56 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 90.3 mt -68.64 -40.06 81.22 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.17 0 O-C-N 121.346 -0.846 . . . . 0.0 111.615 -178.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 60.2 t30 -76.77 -41.86 43.07 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.008 -1.683 . . . . 0.0 112.087 -178.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.574 HG23 ' N ' ' B' ' 15' ' ' PHE . 10.1 m -60.36 -45.01 97.16 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.418 -1.426 . . . . 0.0 109.079 -179.46 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.574 ' N ' HG23 ' B' ' 14' ' ' VAL . 6.5 t80 -60.05 -40.41 89.34 Favored 'General case' 0 C--N 1.298 -1.673 0 O-C-N 121.787 -0.571 . . . . 0.0 109.667 -179.643 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -61.23 -36.12 79.08 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.371 -1.455 . . . . 0.0 109.184 178.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.436 ' HB3' ' O ' ' B' ' 14' ' ' VAL . . . -55.74 -56.15 23.9 Favored 'General case' 0 N--CA 1.497 1.876 0 N-CA-C 113.41 0.892 . . . . 0.0 113.41 -177.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' OD2' ' B' ' 35' ' ' ASP . 3.9 t60 -84.47 -40.14 18.06 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.867 -1.146 . . . . 0.0 111.262 -178.239 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 6.9 m -60.18 -29.53 68.75 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.3 -0.875 . . . . 0.0 113.052 -178.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.36 10.03 42.49 Favored Glycine 0 N--CA 1.505 3.268 0 O-C-N 120.815 -1.178 . . . . 0.0 112.623 -177.011 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -115.77 -62.33 1.61 Allowed 'General case' 0 N--CA 1.506 2.351 0 CA-C-N 119.553 1.677 . . . . 0.0 109.023 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -99.82 76.83 1.99 Allowed 'General case' 0 N--CA 1.493 1.687 0 N-CA-C 107.87 -1.159 . . . . 0.0 107.87 179.068 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.49 -155.22 26.02 Favored Glycine 0 N--CA 1.487 2.091 0 C-N-CA 119.407 -1.378 . . . . 0.0 110.854 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 55.6 t0 -82.53 153.01 25.76 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.78 -0.835 . . . . 0.0 108.78 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.535 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 8.3 mtmp? -57.16 -53.92 52.59 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.16 -0.963 . . . . 0.0 112.689 -177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.548 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 65.2 t80 -117.48 22.74 12.22 Favored 'General case' 0 N--CA 1.51 2.54 0 O-C-N 120.407 -1.433 . . . . 0.0 112.456 -177.292 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 31.0 tptt -133.0 140.05 47.55 Favored 'General case' 0 N--CA 1.505 2.294 0 O-C-N 120.583 -1.323 . . . . 0.0 108.144 178.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.495 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.0 tp -94.04 157.85 15.9 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 107.742 -1.207 . . . . 0.0 107.742 -179.029 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.659 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 68.6 m -130.57 168.11 17.62 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.927 -1.108 . . . . 0.0 110.015 -179.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.544 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 48.0 tptt -47.76 -38.85 16.39 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.339 -0.85 . . . . 0.0 111.005 179.078 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.421 ' O ' ' OD2' ' B' ' 35' ' ' ASP . 79.5 tttt -82.01 -31.13 31.19 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.151 -1.593 . . . . 0.0 110.436 -179.158 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.659 ' HB2' ' H ' ' B' ' 29' ' ' SER . 46.8 mt-10 -69.92 -40.02 75.82 Favored 'General case' 0 C--N 1.291 -1.95 0 O-C-N 120.481 -1.387 . . . . 0.0 110.473 -179.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.642 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.4 pp -65.3 -42.24 93.25 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.97 -1.081 . . . . 0.0 110.47 179.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.642 ' N ' HD12 ' B' ' 33' ' ' LEU . 52.5 tttm -62.27 -38.82 90.8 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.203 -0.936 . . . . 0.0 112.049 -177.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 3.4 p30 -80.61 -37.69 30.68 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.028 -1.045 . . . . 0.0 111.347 -177.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 44.5 tp -59.99 -49.75 76.45 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.983 -1.073 . . . . 0.0 109.203 179.785 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.488 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 4.9 mp -69.23 -42.48 75.62 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.884 0.849 . . . . 0.0 110.582 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.412 ' NE2' ' OG ' ' B' ' 42' ' ' SER . 51.8 tp60 -69.97 -36.58 75.31 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 121.546 -0.721 . . . . 0.0 110.915 -178.572 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.2 m -59.95 -50.78 72.41 Favored 'General case' 0 N--CA 1.493 1.721 0 C-N-CA 119.265 -0.974 . . . . 0.0 112.492 -175.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -97.76 -13.6 21.3 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.984 -1.073 . . . . 0.0 111.523 -177.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.9 mt -128.74 44.49 2.95 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 108.13 -1.063 . . . . 0.0 108.13 179.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.412 ' OG ' ' NE2' ' B' ' 38' ' ' GLN . 13.8 t -60.0 -49.97 75.59 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.599 0.714 . . . . 0.0 110.583 -179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 83.6 p -79.49 -17.69 53.6 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.66 -0.65 . . . . 0.0 111.935 -177.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' B' ' 45' ' ' LEU . 13.6 t80 -96.42 -92.11 0.22 Allowed 'General case' 0 N--CA 1.506 2.362 0 O-C-N 120.445 -1.409 . . . . 0.0 113.268 -177.208 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.467 ' O ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -37.84 160.03 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.662 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 -176.016 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.535 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 1.0 OUTLIER -91.99 113.02 25.18 Favored 'General case' 0 N--CA 1.502 2.15 0 O-C-N 119.053 -2.279 . . . . 0.0 109.59 178.111 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 79.3 t -144.91 -83.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.168 0 O-C-N 120.707 -1.246 . . . . 0.0 109.432 178.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.602 ' NE2' ' NZ ' ' B' ' 34' ' ' LYS . 41.5 mm-40 -60.04 -40.08 88.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.368 -0.832 . . . . 0.0 111.534 -178.443 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' B' ' 43' ' ' SER . 44.0 mtmt -67.64 -19.75 65.24 Favored 'General case' 0 C--N 1.295 -1.801 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 -179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 54.5 t0 -144.46 90.74 2.12 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 108.085 -1.08 . . . . 0.0 108.085 178.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.01 76.4 Favored 'General case' 0 C--N 1.304 -1.388 0 N-CA-C 108.015 -1.105 . . . . 0.0 108.015 -179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -58.9 -34.25 71.46 Favored 'General case' 0 C--N 1.304 -1.4 0 N-CA-C 107.793 -1.188 . . . . 0.0 107.793 177.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.91 -39.86 86.83 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 118.362 -1.335 . . . . 0.0 108.972 -177.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.61 -36.26 64.19 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.413 -1.429 . . . . 0.0 108.437 179.499 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.544 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.5 m-20 -68.33 -40.25 81.66 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.198 -0.939 . . . . 0.0 111.801 -178.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.408 ' HZ3' ' HD2' ' Y' ' 9' ' ' LYS . 95.6 mttt -70.39 -39.97 74.2 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.854 -1.154 . . . . 0.0 110.185 -178.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.427 HG13 HD22 ' Y' ' 8' ' ' ASN . 81.2 mt -67.44 -54.3 24.86 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.842 0 CA-C-O 121.872 0.844 . . . . 0.0 110.511 -179.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.458 ' O ' ' N ' ' B' ' 62' ' ' ASP . 18.8 ttt -60.02 -37.21 79.08 Favored 'General case' 0 C--N 1.295 -1.795 0 CA-C-O 121.421 0.629 . . . . 0.0 109.98 -179.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 tpmt? -60.08 -45.7 92.03 Favored 'General case' 0 C--N 1.293 -1.879 0 N-CA-C 107.226 -1.398 . . . . 0.0 107.226 -179.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -58.88 -22.8 60.02 Favored 'General case' 0 C--N 1.288 -2.094 0 N-CA-C 107.709 -1.219 . . . . 0.0 107.709 178.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.52 ' C ' ' H ' ' B' ' 63' ' ' GLU . 67.6 mt -96.74 -21.09 17.77 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.404 -0.81 . . . . 0.0 110.152 179.619 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.458 ' N ' ' O ' ' B' ' 58' ' ' MET . 85.0 m-20 -73.3 43.56 0.13 Allowed 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 107.656 -1.239 . . . . 0.0 107.656 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.52 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.1 mm-40 -60.45 -40.23 90.4 Favored 'General case' 0 C--N 1.3 -1.571 0 C-N-CA 119.661 -0.815 . . . . 0.0 109.735 -178.084 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 53.6 t30 -77.94 -19.38 54.72 Favored 'General case' 0 C--N 1.298 -1.652 0 N-CA-C 106.844 -1.539 . . . . 0.0 106.844 178.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.85 35.71 53.99 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.55 -2.22 . . . . 0.0 107.55 -178.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.5 p-10 -92.43 -9.2 42.42 Favored 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.437 -1.037 . . . . 0.0 111.606 -177.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.02 12.72 75.64 Favored Glycine 0 N--CA 1.497 2.75 0 N-CA-C 109.552 -1.419 . . . . 0.0 109.552 -179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 83.9 mt-10 -133.55 174.7 10.14 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 13.0 t -132.05 129.11 60.12 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.223 0 O-C-N 120.764 -1.21 . . . . 0.0 109.475 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 42.1 t0 -98.79 152.58 19.55 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.991 -1.068 . . . . 0.0 109.064 -179.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.534 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 11.0 t80 -50.06 -19.98 0.86 Allowed 'General case' 0 C--N 1.302 -1.488 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 -179.339 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.531 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.4 mp0 -78.08 -24.23 47.71 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.842 -1.161 . . . . 0.0 108.404 177.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' B' ' 70' ' ' ASP . 80.7 mt-10 -87.17 -49.35 7.35 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.592 0.711 . . . . 0.0 110.005 179.496 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.464 ' CE1' HD11 ' B' ' 37' ' ' LEU . 9.2 t80 -63.67 -47.02 82.96 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.776 -0.578 . . . . 0.0 110.595 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.701 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.3 t -60.1 -40.01 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 120.985 -1.072 . . . . 0.0 109.836 -179.512 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.531 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -60.55 -40.76 85.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.54 0 O-C-N 120.832 -1.167 . . . . 0.0 109.942 178.005 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.687 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.1 tm? -63.38 -50.28 70.52 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 121.223 -0.923 . . . . 0.0 112.53 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.435 ' O ' HG22 ' B' ' 82' ' ' THR . 15.4 m -60.03 -39.49 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.462 -1.399 . . . . 0.0 109.313 -179.811 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.677 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -60.04 -39.46 86.01 Favored 'General case' 0 C--N 1.295 -1.77 0 CA-C-O 121.769 0.795 . . . . 0.0 109.657 179.011 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' Y' ' 11' ' ' LEU . . . -79.38 -26.41 41.99 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 113.798 1.036 . . . . 0.0 113.798 -176.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.588 HD23 HD23 ' Y' ' 11' ' ' LEU . 85.3 mt -84.18 -47.61 10.67 Favored 'General case' 0 N--CA 1.512 2.654 0 O-C-N 119.365 -2.084 . . . . 0.0 109.012 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.547 HG23 ' N ' ' B' ' 83' ' ' VAL . 8.8 t -48.24 -45.74 34.69 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.693 -0.63 . . . . 0.0 109.52 179.112 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.547 ' N ' HG23 ' B' ' 82' ' ' THR . 14.6 m -60.04 -41.92 87.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.66 0 O-C-N 121.123 -0.985 . . . . 0.0 110.496 178.016 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.474 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -60.1 -26.72 66.43 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.358 -0.839 . . . . 0.0 109.299 -179.073 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 43.8 t -74.35 -45.78 44.89 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.298 -0.876 . . . . 0.0 110.282 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.08 -40.99 91.48 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.204 -0.935 . . . . 0.0 110.298 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 59.8 t-20 -60.16 -39.97 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.124 -0.985 . . . . 0.0 110.179 -179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -89.91 -0.82 57.78 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.085 -1.009 . . . . 0.0 109.545 -179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -79.36 -19.66 49.68 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 107.923 -1.14 . . . . 0.0 107.923 178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 73.3 t-105 -92.37 -2.27 56.47 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 179.564 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.418 ' CG ' ' N ' ' B' ' 92' ' ' ASN . 17.1 pt-20 -60.06 -41.03 91.47 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.407 -0.808 . . . . 0.0 110.509 -178.708 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.418 ' N ' ' CG ' ' B' ' 91' ' ' GLU . 96.9 m-20 -100.16 0.43 40.52 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.207 -0.933 . . . . 0.0 109.292 -179.827 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.4 m . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.997 -1.001 . . . . 0.0 109.629 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 40.5 m . . . . . 0 N--CA 1.49 1.542 0 CA-C-O 121.363 0.602 . . . . 0.0 109.705 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? 50.03 -143.19 0.58 Allowed 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.305 -0.872 . . . . 0.0 109.204 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 53.6 p -120.4 121.64 38.99 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 121.31 -0.869 . . . . 0.0 109.455 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.02 -37.54 14.23 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.238 -0.914 . . . . 0.0 109.241 179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -161.26 115.16 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 O-C-N 121.233 -0.917 . . . . 0.0 109.123 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 38.3 p-10 -149.14 9.67 0.76 Allowed 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.157 -0.964 . . . . 0.0 109.43 179.537 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.591 ' O ' ' N ' ' X' ' 10' ' ' ILE . 8.5 p-90 -69.91 -23.32 63.21 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.212 -1.555 . . . . 0.0 110.105 -178.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.42 ' C ' ' O ' ' X' ' 7' ' ' TRP . 60.8 t30 -52.97 -32.68 47.44 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 119.421 -2.049 . . . . 0.0 106.197 176.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' X' ' 12' ' ' SER . 86.3 tttt -63.26 -30.15 71.34 Favored 'General case' 0 C--N 1.307 -1.278 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 177.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.591 ' N ' ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -42.16 -46.57 1.02 Allowed 'Isoleucine or valine' 0 N--CA 1.514 2.753 0 N-CA-C 107.548 -1.279 . . . . 0.0 107.548 178.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.547 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 54.9 tp -64.97 -40.17 94.6 Favored 'General case' 0 N--CA 1.487 1.381 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 179.526 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.497 ' N ' ' O ' ' X' ' 9' ' ' LYS . 2.1 t . . . . . 0 N--CA 1.494 1.773 0 CA-C-O 118.0 -1.0 . . . . 0.0 109.378 179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 58.4 mtp180 -100.08 11.2 39.91 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.437 -0.79 . . . . 0.0 109.782 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 15.8 p -59.94 -40.04 87.6 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.232 -0.917 . . . . 0.0 109.141 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -93.08 174.02 7.44 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.49 -0.756 . . . . 0.0 109.632 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.488 HD13 ' NZ ' ' B' ' 49' ' ' LYS . 41.9 pt -99.91 138.25 24.86 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -120.88 9.81 10.74 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.027 -1.045 . . . . 0.0 109.251 -179.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.651 ' O ' HG22 ' Y' ' 10' ' ' ILE . 63.7 t90 -60.06 -49.9 75.85 Favored 'General case' 0 C--N 1.288 -2.097 0 O-C-N 121.165 -0.96 . . . . 0.0 111.414 -178.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.56 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 1.2 t-20 -51.4 -34.13 33.29 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 119.356 -2.09 . . . . 0.0 109.467 -179.006 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.19 -23.2 54.71 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 106.569 -1.641 . . . . 0.0 106.569 178.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.651 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.5 tt -52.39 -40.2 31.21 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.647 0 N-CA-C 106.886 -1.524 . . . . 0.0 106.886 177.429 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.472 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 27.8 tp -76.85 -39.9 49.6 Favored 'General case' 0 N--CA 1.493 1.713 0 C-N-CA 120.168 -0.613 . . . . 0.0 109.562 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . 0.454 ' CB ' ' O ' ' Y' ' 11' ' ' LEU . 2.1 p . . . . . 0 N--CA 1.492 1.641 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.289 -179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.52 2.568 . . . . 0.0 119.52 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.3 p -83.34 158.24 22.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.237 -1.155 . . . . 0.0 109.782 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -41.62 -57.19 2.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.546 -0.721 . . . . 0.0 110.923 -178.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.1 mt -67.14 -42.29 84.67 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.064 -1.022 . . . . 0.0 110.927 -179.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -60.06 -38.06 81.72 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.875 -1.14 . . . . 0.0 109.575 -179.087 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . 94.3 m -54.27 -48.8 70.81 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 122.002 0.906 . . . . 0.0 110.167 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.12 -26.74 67.6 Favored 'General case' 0 N--CA 1.493 1.708 0 N-CA-C 112.794 0.664 . . . . 0.0 112.794 -178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.8 ttt -71.08 -49.06 48.59 Favored 'General case' 0 C--N 1.298 -1.656 0 O-C-N 120.38 -1.45 . . . . 0.0 110.482 -178.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 68.5 mm-40 -69.96 -26.85 64.31 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 121.536 -0.727 . . . . 0.0 110.375 -177.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -63.69 -56.71 13.62 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.856 -1.152 . . . . 0.0 109.024 -179.828 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' N ' ' A' ' 11' ' ' LEU . 8.0 mp -59.42 -39.42 83.44 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.168 -1.582 . . . . 0.0 110.398 -179.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.427 ' O ' ' ND1' ' A' ' 16' ' ' HIS . 73.6 mt -64.16 -39.88 87.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 120.426 -1.421 . . . . 0.0 112.105 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.47 -41.87 26.55 Favored 'General case' 0 N--CA 1.503 2.201 0 O-C-N 119.82 -1.8 . . . . 0.0 112.195 -178.533 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.2 p -61.61 -42.05 92.65 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.64 -1.287 . . . . 0.0 109.483 -179.004 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.767 ' CE2' HD13 ' A' ' 28' ' ' LEU . 5.9 t80 -60.09 -39.94 87.84 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.611 -0.68 . . . . 0.0 109.561 179.382 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.427 ' ND1' ' O ' ' A' ' 12' ' ' ILE . 29.0 m80 -62.59 -36.24 82.07 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.543 -1.348 . . . . 0.0 109.984 178.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.56 -55.44 31.89 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.143 -0.973 . . . . 0.0 112.907 -178.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 43.4 m80 -83.16 -40.77 19.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.968 -1.083 . . . . 0.0 112.252 -177.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -61.32 -31.1 70.95 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 114.345 1.239 . . . . 0.0 114.345 -177.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.07 15.31 56.7 Favored Glycine 0 N--CA 1.502 3.096 0 O-C-N 120.614 -1.303 . . . . 0.0 113.087 -176.291 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.8 -57.83 2.18 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 120.07 1.935 . . . . 0.0 110.322 -179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -101.48 23.21 11.43 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 121.168 -0.958 . . . . 0.0 111.339 -178.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.23 -166.63 23.46 Favored Glycine 0 N--CA 1.493 2.44 0 C-N-CA 118.393 -1.86 . . . . 0.0 111.943 -179.675 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 83.4 m-20 -58.73 140.41 54.86 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.918 -0.754 . . . . 0.0 109.247 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 66.5 mttm -51.08 -50.0 59.56 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.387 -0.82 . . . . 0.0 111.892 -177.392 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -108.94 19.96 18.99 Favored 'General case' 0 N--CA 1.509 2.478 0 O-C-N 120.745 -1.222 . . . . 0.0 112.078 -178.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.0 mttt -136.48 144.54 44.4 Favored 'General case' 0 N--CA 1.507 2.382 0 O-C-N 120.503 -1.373 . . . . 0.0 110.768 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.767 HD13 ' CE2' ' A' ' 15' ' ' PHE . 1.6 tp -92.55 117.62 30.14 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-N 115.457 -0.792 . . . . 0.0 109.253 -179.205 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 14.2 m -77.34 159.93 29.18 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 119.822 -1.799 . . . . 0.0 108.649 178.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 25.0 tptp -42.94 -38.07 2.09 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 121.13 -0.981 . . . . 0.0 110.543 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.3 pttt -80.31 -27.85 38.36 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 120.487 -1.383 . . . . 0.0 110.124 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -70.92 -40.13 72.28 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.586 -1.321 . . . . 0.0 110.716 -179.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.455 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 2.8 pp -63.79 -44.17 94.15 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 120.678 -1.264 . . . . 0.0 109.847 179.75 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 72.2 tttt -64.06 -39.77 94.81 Favored 'General case' 0 C--N 1.298 -1.662 0 C-N-CA 119.215 -0.994 . . . . 0.0 111.446 -178.155 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -70.13 -39.95 75.12 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.766 -1.209 . . . . 0.0 110.908 -178.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 41.4 tp -62.07 -47.47 84.56 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.61 -0.681 . . . . 0.0 110.582 -178.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.422 HD21 ' CE1' ' A' ' 74' ' ' PHE . 4.1 mm? -69.94 -49.08 55.38 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.531 -0.73 . . . . 0.0 112.359 -177.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.528 ' O ' ' N ' ' A' ' 42' ' ' SER . 12.7 pt20 -65.66 -40.43 92.42 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.08 1.141 . . . . 0.0 114.08 -176.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.455 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 96.4 m -48.91 -49.96 37.44 Favored 'General case' 0 C--N 1.3 -1.56 0 O-C-N 121.199 -0.938 . . . . 0.0 111.427 -174.559 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -99.04 -13.03 20.04 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.204 -0.935 . . . . 0.0 110.338 -178.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 46.6 mt -132.75 40.8 3.23 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.424 -0.954 . . . . 0.0 108.424 179.468 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.528 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.4 t -60.02 -50.71 72.65 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 121.726 0.774 . . . . 0.0 110.684 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.5 m -81.55 -17.63 47.76 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.668 -0.645 . . . . 0.0 112.268 -177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.645 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.7 t80 -84.07 -105.86 0.04 OUTLIER 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.096 -1.627 . . . . 0.0 110.476 -178.023 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.645 ' O ' ' O ' ' A' ' 44' ' ' PHE . 8.4 mp -16.33 153.5 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.895 0 CA-C-O 117.759 -1.115 . . . . 0.0 110.423 174.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -92.95 108.71 20.21 Favored 'General case' 0 N--CA 1.511 2.608 0 CA-C-N 123.547 2.885 . . . . 0.0 109.013 173.688 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.498 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -148.18 -61.82 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.507 2.391 0 O-C-N 120.166 -1.584 . . . . 0.0 108.678 178.056 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.498 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.7 mm100 -70.02 -40.27 75.3 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.075 -1.015 . . . . 0.0 110.243 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -70.27 -21.82 62.92 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 107.948 -1.131 . . . . 0.0 107.948 178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 48.2 t0 -139.8 90.51 2.4 Favored 'General case' 0 C--N 1.3 -1.544 0 N-CA-C 107.724 -1.213 . . . . 0.0 107.724 178.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.74 67.27 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 -179.587 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -60.03 -37.39 79.64 Favored 'General case' 0 C--N 1.3 -1.559 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.369 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -38.2 81.36 Favored 'General case' 0 C--N 1.298 -1.634 0 C-N-CA 118.697 -1.201 . . . . 0.0 109.683 -177.54 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.9 -39.14 79.22 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.713 0 O-C-N 120.115 -1.616 . . . . 0.0 107.924 179.137 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 89.0 m-20 -64.65 -39.96 94.59 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.763 -0.586 . . . . 0.0 111.712 -179.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 41.8 mmtm -63.65 -40.14 96.1 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.812 -1.18 . . . . 0.0 110.08 -178.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.7 mp -72.09 -41.81 67.52 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 CA-C-O 121.633 0.73 . . . . 0.0 110.067 -179.786 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -64.24 -40.0 95.12 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.588 -0.695 . . . . 0.0 111.374 -177.553 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 60' ' ' GLU . 2.9 ptmt -65.52 -36.88 85.15 Favored 'General case' 0 C--N 1.289 -2.048 0 C-N-CA 117.998 -1.481 . . . . 0.0 107.11 179.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 59' ' ' LYS . 83.1 tt0 -63.67 -30.27 71.4 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.81 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.461 HD22 ' O ' ' A' ' 73' ' ' GLU . 25.1 mt -90.89 -18.65 24.43 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 121.497 -0.752 . . . . 0.0 110.542 -179.546 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 87.0 m-20 -77.96 43.35 0.42 Allowed 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.654 -1.279 . . . . 0.0 108.403 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.423 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.5 mt-10 -60.09 -40.59 90.13 Favored 'General case' 0 C--N 1.302 -1.458 0 C-N-CA 119.301 -0.96 . . . . 0.0 109.804 -178.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -77.08 -18.74 57.8 Favored 'General case' 0 C--N 1.299 -1.597 0 N-CA-C 107.065 -1.458 . . . . 0.0 107.065 178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.19 33.68 58.93 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 108.108 -1.997 . . . . 0.0 108.108 -179.065 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.432 ' O ' ' OE2' ' A' ' 68' ' ' GLU . 33.3 p-10 -89.98 -8.99 50.35 Favored 'General case' 0 N--CA 1.504 2.239 0 O-C-N 121.374 -1.074 . . . . 0.0 111.985 -177.288 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.98 6.85 88.96 Favored Glycine 0 N--CA 1.501 3.024 0 N-CA-C 109.751 -1.34 . . . . 0.0 109.751 -179.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 66' ' ' ASP . 10.0 mp0 -142.31 169.34 17.76 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 107.438 -1.319 . . . . 0.0 107.438 179.467 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 26.0 t -111.28 125.74 68.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.585 0 O-C-N 121.261 -0.899 . . . . 0.0 109.826 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 73' ' ' GLU . 83.9 m-20 -90.79 146.48 23.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 107.157 -1.423 . . . . 0.0 107.157 177.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.438 ' CE2' ' CG ' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -42.65 -32.18 0.55 Allowed 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.238 -0.914 . . . . 0.0 110.52 -178.211 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.99 -27.48 64.74 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 119.957 -1.714 . . . . 0.0 109.16 178.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 70' ' ' ASP . 86.5 mt-10 -82.37 -42.76 18.26 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.936 0.874 . . . . 0.0 109.914 179.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.422 ' CE1' HD21 ' A' ' 37' ' ' LEU . 4.2 t80 -67.82 -49.81 60.23 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.476 -0.765 . . . . 0.0 111.254 -178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.674 HG22 ' HB1' ' B' ' 79' ' ' ALA . 5.4 p -59.98 -34.2 55.54 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.692 0 O-C-N 121.269 -0.895 . . . . 0.0 110.591 -177.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.437 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -62.44 -33.98 62.18 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.811 0 C-N-CA 119.126 -1.03 . . . . 0.0 108.439 178.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.2 tm? -69.42 -55.01 11.55 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 121.606 -0.684 . . . . 0.0 112.001 -177.708 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 79' ' ' ALA . 35.6 m -60.19 -35.39 61.55 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.321 0 CA-C-O 122.555 1.169 . . . . 0.0 109.42 -178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.641 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -65.6 -39.94 92.1 Favored 'General case' 0 C--N 1.284 -2.268 0 CA-C-O 121.797 0.808 . . . . 0.0 110.199 179.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.71 -35.34 57.92 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 114.312 1.227 . . . . 0.0 114.312 -176.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.071 HD13 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -70.95 -39.97 72.29 Favored 'General case' 0 N--CA 1.51 2.529 0 O-C-N 119.36 -2.088 . . . . 0.0 109.899 -177.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 1.071 ' N ' HD13 ' A' ' 81' ' ' LEU . 2.2 t -60.15 -49.81 76.16 Favored 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.779 -1.2 . . . . 0.0 110.97 179.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.442 HG23 ' N ' ' A' ' 84' ' ' ALA . 13.3 m -60.05 -40.55 83.55 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 O-C-N 120.829 -1.17 . . . . 0.0 109.843 177.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.442 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.46 -25.79 68.16 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.561 -0.712 . . . . 0.0 109.12 -179.657 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.552 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 54.1 t -69.34 -41.36 76.74 Favored 'General case' 0 C--N 1.301 -1.507 0 C-N-CA 119.404 -0.918 . . . . 0.0 110.122 -179.362 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.74 -40.61 93.05 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 120.939 -1.101 . . . . 0.0 108.813 179.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.42 -39.85 92.28 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.616 -0.678 . . . . 0.0 109.704 179.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.518 ' CZ ' ' OE2' ' A' ' 91' ' ' GLU . 64.6 t80 -77.46 -10.42 59.46 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.483 -0.761 . . . . 0.0 110.006 -178.629 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.552 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 3.5 m-85 -90.85 -20.82 21.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.079 -1.013 . . . . 0.0 109.026 179.527 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 62.5 t-105 -89.98 -11.64 41.04 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.333 -0.855 . . . . 0.0 110.046 -179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.518 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 18.9 pt-20 -61.53 -39.96 92.95 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.977 -1.077 . . . . 0.0 109.552 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -88.24 -0.45 57.13 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.175 -0.953 . . . . 0.0 109.203 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.491 1.588 0 CA-C-O 118.051 -0.976 . . . . 0.0 109.376 -179.987 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.783 0 N-CA-C 119.512 2.565 . . . . 0.0 119.512 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 76.0 p -83.48 158.13 22.15 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.122 -1.222 . . . . 0.0 109.697 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -41.74 -57.22 2.4 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.506 -0.746 . . . . 0.0 110.926 -178.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.0 mt -67.05 -42.08 85.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.116 -0.99 . . . . 0.0 110.945 -179.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 15.2 tm-20 -59.96 -38.15 81.62 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.928 -1.108 . . . . 0.0 109.602 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.431 ' O ' ' OG1' ' B' ' 10' ' ' THR . 94.4 m -54.48 -48.6 71.62 Favored 'General case' 0 C--N 1.3 -1.573 0 CA-C-O 122.003 0.906 . . . . 0.0 110.256 -179.608 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -66.04 -26.95 67.75 Favored 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 112.854 0.687 . . . . 0.0 112.854 -178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.3 ttt -71.13 -48.98 48.93 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.323 -1.486 . . . . 0.0 110.505 -178.163 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 69.1 mm-40 -70.09 -26.76 64.14 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.561 -0.712 . . . . 0.0 110.457 -177.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.431 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -63.7 -56.66 13.97 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.824 -1.172 . . . . 0.0 109.131 -179.897 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.487 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.0 mp -59.38 -39.48 83.47 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.185 -1.572 . . . . 0.0 110.507 -179.476 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.428 ' O ' ' ND1' ' B' ' 16' ' ' HIS . 72.5 mt -64.08 -39.96 87.33 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.474 -1.391 . . . . 0.0 112.125 -179.135 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.3 m120 -79.44 -41.98 26.4 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 119.873 -1.767 . . . . 0.0 112.204 -178.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.466 HG13 ' N ' ' B' ' 15' ' ' PHE . 9.2 p -61.34 -42.12 92.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 120.655 -1.278 . . . . 0.0 109.43 -179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.747 ' CE2' HD13 ' B' ' 28' ' ' LEU . 6.1 t80 -60.03 -40.1 88.2 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.637 -0.665 . . . . 0.0 109.556 179.444 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.428 ' ND1' ' O ' ' B' ' 12' ' ' ILE . 29.3 m80 -62.44 -36.54 82.74 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.672 -1.267 . . . . 0.0 110.03 178.725 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -55.35 -55.51 30.71 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.198 -0.939 . . . . 0.0 112.902 -178.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 44.0 m80 -83.02 -40.84 19.41 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.954 -1.091 . . . . 0.0 112.312 -177.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 79.2 p -61.34 -31.01 70.87 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 114.394 1.257 . . . . 0.0 114.394 -177.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.93 15.19 56.99 Favored Glycine 0 N--CA 1.502 3.076 0 O-C-N 120.517 -1.364 . . . . 0.0 113.139 -176.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -115.86 -57.58 2.21 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.02 1.91 . . . . 0.0 110.379 -179.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -101.91 23.26 11.69 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.178 -0.951 . . . . 0.0 111.267 -178.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.12 -166.96 23.88 Favored Glycine 0 N--CA 1.493 2.474 0 C-N-CA 118.528 -1.796 . . . . 0.0 111.933 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 83.6 m-20 -58.54 140.49 54.08 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.9 -0.765 . . . . 0.0 109.308 -179.622 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttm -51.35 -49.92 60.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.373 -0.829 . . . . 0.0 111.912 -177.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -108.82 20.11 18.86 Favored 'General case' 0 N--CA 1.508 2.458 0 O-C-N 120.789 -1.195 . . . . 0.0 112.101 -178.143 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 22.8 mttt -136.68 144.47 43.96 Favored 'General case' 0 N--CA 1.508 2.432 0 O-C-N 120.525 -1.36 . . . . 0.0 110.655 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.747 HD13 ' CE2' ' B' ' 15' ' ' PHE . 1.6 tp -92.27 117.76 30.21 Favored 'General case' 0 N--CA 1.492 1.646 0 CA-C-N 115.375 -0.83 . . . . 0.0 109.307 -179.251 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 14.7 m -77.47 159.94 29.03 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 119.754 -1.841 . . . . 0.0 108.511 177.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 24.5 tptp -43.07 -38.04 2.2 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.25 -0.906 . . . . 0.0 110.451 179.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -80.16 -27.8 38.94 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.501 -1.374 . . . . 0.0 110.164 -179.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -71.06 -40.12 71.84 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.551 -1.343 . . . . 0.0 110.654 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.448 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 2.9 pp -63.8 -44.09 94.35 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.685 -1.259 . . . . 0.0 109.801 179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.448 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 73.0 tttt -64.01 -39.98 95.32 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 119.229 -0.989 . . . . 0.0 111.464 -178.22 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -69.95 -40.04 75.7 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.733 -1.23 . . . . 0.0 111.115 -178.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 42.5 tp -61.94 -47.61 84.13 Favored 'General case' 0 C--N 1.297 -1.712 0 O-C-N 121.579 -0.701 . . . . 0.0 110.629 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.414 HD21 ' CE1' ' B' ' 74' ' ' PHE . 4.0 mm? -70.0 -49.02 55.68 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.467 -0.771 . . . . 0.0 112.384 -177.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.523 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.3 pt20 -65.54 -40.45 92.91 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.207 1.188 . . . . 0.0 114.207 -176.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.458 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 98.5 m -48.87 -49.95 37.11 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.13 -0.981 . . . . 0.0 111.415 -174.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -99.01 -13.23 19.98 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.234 -0.916 . . . . 0.0 110.304 -178.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 51.9 mt -132.32 40.64 3.29 Favored 'General case' 0 N--CA 1.499 2.017 0 N-CA-C 108.515 -0.921 . . . . 0.0 108.515 179.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.523 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.5 t -60.09 -50.76 72.45 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.672 0.748 . . . . 0.0 110.757 -179.869 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.1 m -81.59 -16.62 51.02 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.64 -0.663 . . . . 0.0 112.206 -177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.7 t80 -85.64 -92.37 0.09 Allowed 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.16 -1.588 . . . . 0.0 112.246 -177.368 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.427 ' O ' ' O ' ' B' ' 44' ' ' PHE . 8.1 mp -39.93 160.08 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.229 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 -177.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.56 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.3 t0 -93.06 107.89 19.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 119.328 -2.107 . . . . 0.0 108.634 177.059 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.0 m -148.14 -61.54 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.078 0 O-C-N 120.549 -1.344 . . . . 0.0 108.304 178.258 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.8 mm100 -70.11 -40.56 74.81 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.242 -0.911 . . . . 0.0 110.274 -179.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.488 ' NZ ' HD13 ' Y' ' 5' ' ' ILE . 46.3 mtmt -69.98 -22.1 63.17 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 107.917 -1.142 . . . . 0.0 107.917 178.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 48.0 t0 -139.87 90.51 2.39 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.815 -1.18 . . . . 0.0 107.815 178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.02 -31.68 67.22 Favored 'General case' 0 C--N 1.303 -1.421 0 N-CA-C 108.247 -1.02 . . . . 0.0 108.247 -179.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -59.94 -37.36 79.31 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.718 -1.215 . . . . 0.0 107.718 177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.59 -39.83 85.43 Favored 'General case' 0 C--N 1.3 -1.576 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.361 -177.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.66 -38.98 74.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.874 0 O-C-N 120.163 -1.586 . . . . 0.0 108.147 179.393 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -64.71 -40.14 94.85 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.622 -0.674 . . . . 0.0 111.742 -179.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 42.2 mmtm -63.52 -40.13 96.24 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.662 -1.274 . . . . 0.0 110.133 -178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.403 ' N ' HD12 ' B' ' 57' ' ' ILE . 1.7 mp -72.08 -41.88 67.64 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.797 0 O-C-N 121.496 -0.752 . . . . 0.0 110.158 -179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.499 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -64.34 -39.93 94.87 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.551 -0.718 . . . . 0.0 111.392 -177.494 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' B' ' 60' ' ' GLU . 3.3 ptmt -65.36 -36.76 84.97 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 118.004 -1.478 . . . . 0.0 107.089 179.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 78.0 tt0 -64.71 -27.65 69.06 Favored 'General case' 0 C--N 1.3 -1.568 0 N-CA-C 108.516 -0.92 . . . . 0.0 108.516 179.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.446 HD22 ' O ' ' B' ' 73' ' ' GLU . 24.5 mt -92.99 -18.62 22.48 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.498 -0.751 . . . . 0.0 110.365 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.499 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 86.5 m-20 -77.98 43.11 0.42 Allowed 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.778 -1.201 . . . . 0.0 108.396 -179.755 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.422 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.4 mt-10 -60.02 -40.73 90.28 Favored 'General case' 0 C--N 1.303 -1.446 0 C-N-CA 119.345 -0.942 . . . . 0.0 109.582 -178.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 65.5 t30 -76.85 -18.99 58.02 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 107.107 -1.442 . . . . 0.0 107.107 178.48 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 73.45 33.52 58.5 Favored Glycine 0 N--CA 1.487 2.077 0 N-CA-C 108.026 -2.03 . . . . 0.0 108.026 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.435 ' O ' ' OE2' ' B' ' 68' ' ' GLU . 32.8 p-10 -89.98 -9.14 49.81 Favored 'General case' 0 N--CA 1.504 2.262 0 O-C-N 121.417 -1.049 . . . . 0.0 111.987 -177.218 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.97 7.11 88.8 Favored Glycine 0 N--CA 1.503 3.104 0 N-CA-C 109.666 -1.373 . . . . 0.0 109.666 -179.541 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.435 ' OE2' ' O ' ' B' ' 66' ' ' ASP . 9.8 mp0 -142.58 169.3 17.84 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 179.405 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 25.6 t -111.1 125.69 68.45 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.53 0 O-C-N 121.122 -0.986 . . . . 0.0 109.881 -179.474 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.535 ' O ' ' N ' ' B' ' 73' ' ' GLU . 84.5 m-20 -90.72 146.54 23.92 Favored 'General case' 0 N--CA 1.49 1.554 0 N-CA-C 107.161 -1.422 . . . . 0.0 107.161 177.788 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.433 ' CE2' ' CG ' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -42.58 -32.3 0.55 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.236 -0.915 . . . . 0.0 110.582 -178.253 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 21.4 pt20 -69.95 -27.56 64.85 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 119.999 -1.688 . . . . 0.0 109.153 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 70' ' ' ASP . 85.4 mt-10 -82.46 -42.57 18.34 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-O 121.843 0.83 . . . . 0.0 109.828 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.414 ' CE1' HD21 ' B' ' 37' ' ' LEU . 4.3 t80 -67.98 -49.67 60.24 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.452 -0.78 . . . . 0.0 111.262 -178.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.641 HG22 ' HB1' ' A' ' 79' ' ' ALA . 5.5 p -60.03 -34.05 55.18 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.665 0 O-C-N 121.232 -0.917 . . . . 0.0 110.648 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.441 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -62.5 -33.81 61.46 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.831 0 C-N-CA 119.109 -1.036 . . . . 0.0 108.503 178.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.715 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -69.6 -54.97 11.43 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.627 -0.671 . . . . 0.0 111.917 -177.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.412 HG23 ' N ' ' B' ' 79' ' ' ALA . 35.7 m -60.17 -35.33 61.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 CA-C-O 122.479 1.133 . . . . 0.0 109.405 -178.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.674 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -65.74 -39.94 91.63 Favored 'General case' 0 C--N 1.283 -2.287 0 CA-C-O 121.937 0.875 . . . . 0.0 110.196 179.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.96 -34.89 57.55 Favored 'General case' 0 C--N 1.299 -1.617 0 N-CA-C 114.285 1.217 . . . . 0.0 114.285 -176.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 1.052 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -71.38 -39.78 71.0 Favored 'General case' 0 N--CA 1.505 2.296 0 O-C-N 119.254 -2.154 . . . . 0.0 110.045 -177.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 1.052 ' N ' HD13 ' B' ' 81' ' ' LEU . 2.1 t -59.94 -49.84 76.1 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 120.854 -1.154 . . . . 0.0 110.995 179.715 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.445 HG23 ' N ' ' B' ' 84' ' ' ALA . 14.7 m -59.86 -40.61 83.24 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.209 0 O-C-N 120.837 -1.164 . . . . 0.0 109.885 177.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.445 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.58 -25.54 68.01 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.467 -0.77 . . . . 0.0 109.164 -179.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.556 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 52.7 t -69.07 -41.85 77.0 Favored 'General case' 0 N--CA 1.49 1.544 0 C-N-CA 119.519 -0.873 . . . . 0.0 109.969 -179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 95.7 m-20 -60.6 -40.38 91.58 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.839 -1.163 . . . . 0.0 108.894 179.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -61.6 -39.85 92.68 Favored 'General case' 0 N--CA 1.49 1.562 0 CA-C-O 121.488 0.661 . . . . 0.0 109.735 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.519 ' CZ ' ' OE2' ' B' ' 91' ' ' GLU . 64.6 t80 -77.53 -10.12 59.31 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.414 -0.804 . . . . 0.0 110.014 -178.652 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.556 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.5 m-85 -91.0 -20.86 21.65 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.036 -1.04 . . . . 0.0 108.985 179.489 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 62.4 t-105 -90.02 -11.77 40.55 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.348 -0.845 . . . . 0.0 109.995 -179.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.519 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 19.0 pt-20 -61.28 -40.12 92.96 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 120.852 -1.155 . . . . 0.0 109.599 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.3 t30 -88.12 -0.52 57.16 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.178 -0.951 . . . . 0.0 109.219 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 55.9 m . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 118.004 -0.998 . . . . 0.0 109.292 179.919 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 9.4 t . . . . . 0 N--CA 1.49 1.538 0 N-CA-C 109.279 -0.638 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 61.4 ttt180 -98.4 126.38 43.91 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.143 -0.973 . . . . 0.0 109.331 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . 0.566 ' OG1' ' N ' ' X' ' 4' ' ' LYS . 1.7 t -166.31 -142.19 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.055 -1.028 . . . . 0.0 109.016 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.566 ' N ' ' OG1' ' X' ' 3' ' ' THR . 21.0 pttp 38.98 -165.14 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.891 0 CA-C-O 121.565 0.697 . . . . 0.0 111.362 178.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.521 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.7 pt -139.53 127.73 26.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 N-CA-C 108.237 -1.023 . . . . 0.0 108.237 -179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' X' ' 4' ' ' LYS . 91.6 m-20 -110.9 17.56 20.4 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 121.972 0.891 . . . . 0.0 109.086 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.661 ' O ' HG22 ' X' ' 10' ' ' ILE . 84.6 t90 -64.3 -53.77 43.67 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 120.973 -1.079 . . . . 0.0 112.35 -178.026 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.522 HD22 ' H ' ' A' ' 46' ' ' ASP . 3.6 t-20 -51.9 -31.98 30.61 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 119.313 -2.117 . . . . 0.0 109.215 -178.605 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.559 ' O ' ' N ' ' X' ' 12' ' ' SER . 68.7 mttm -59.99 -22.94 63.21 Favored 'General case' 0 C--N 1.301 -1.527 0 N-CA-C 106.535 -1.654 . . . . 0.0 106.535 177.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.661 HG22 ' O ' ' X' ' 7' ' ' TRP . 8.0 tt -49.87 -38.66 14.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 N-CA-C 105.469 -2.048 . . . . 0.0 105.469 176.622 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.431 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 44.2 tp -75.66 -33.15 60.42 Favored 'General case' 0 N--CA 1.489 1.523 0 N-CA-C 107.459 -1.311 . . . . 0.0 107.459 176.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.559 ' N ' ' O ' ' X' ' 9' ' ' LYS . 28.0 t . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 118.157 -0.925 . . . . 0.0 109.051 -179.702 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 93.3 m . . . . . 0 N--CA 1.488 1.462 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 23.8 mmt85 49.96 -139.89 0.83 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.508 -0.745 . . . . 0.0 109.477 179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . 0.471 ' O ' HG23 ' Y' ' 3' ' ' THR . 10.0 t -115.76 127.79 55.37 Favored 'General case' 0 N--CA 1.506 2.353 0 O-C-N 121.318 -0.864 . . . . 0.0 109.972 -179.403 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.471 ' H ' ' CD ' ' Y' ' 4' ' ' LYS . 0.0 OUTLIER -74.64 -41.08 61.01 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.033 -1.042 . . . . 0.0 110.164 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -153.19 110.82 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 O-C-N 121.074 -1.016 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.9 p-10 -139.11 11.46 2.6 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 107.843 -1.169 . . . . 0.0 107.843 178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.686 ' O ' HG22 ' Y' ' 10' ' ' ILE . 38.8 t90 -58.29 -43.22 87.97 Favored 'General case' 0 C--N 1.296 -1.729 0 O-C-N 121.643 -0.661 . . . . 0.0 109.744 -179.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -52.75 -30.37 32.34 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.854 -1.779 . . . . 0.0 107.189 178.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.8 ttpt -56.13 -28.13 56.69 Favored 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 106.134 -1.802 . . . . 0.0 106.134 178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.686 HG22 ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -50.56 -36.99 14.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 177.632 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 47.5 tp -64.73 -40.03 94.63 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 178.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 10.0 p . . . . . 0 N--CA 1.494 1.755 0 CA-C-O 117.942 -1.027 . . . . 0.0 109.867 -179.577 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.527 4.712 0 N-CA-C 119.879 2.711 . . . . 0.0 119.879 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.1 m -81.04 154.73 26.7 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.031 -1.276 . . . . 0.0 109.172 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -46.57 -53.89 10.5 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.437 -0.79 . . . . 0.0 110.514 -178.208 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.401 HD11 HG11 ' B' ' 78' ' ' VAL . 56.6 tp -66.94 -41.31 87.18 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.065 -1.022 . . . . 0.0 109.173 -179.735 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.2 tt0 -63.13 -40.34 97.32 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.333 -0.854 . . . . 0.0 109.468 179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.452 ' O ' ' OG1' ' A' ' 10' ' ' THR . 30.0 m -48.07 -44.6 31.59 Favored 'General case' 0 C--N 1.301 -1.515 0 CA-C-O 122.111 0.957 . . . . 0.0 109.394 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.65 -28.39 67.67 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.376 -0.829 . . . . 0.0 113.036 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.7 ttt -69.84 -52.46 24.79 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.597 -1.314 . . . . 0.0 111.196 -177.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 57.7 mm-40 -67.02 -29.61 69.48 Favored 'General case' 0 C--N 1.29 -1.982 0 C-N-CA 120.137 -0.625 . . . . 0.0 110.141 -177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -60.56 -55.94 27.29 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.168 -0.958 . . . . 0.0 110.376 -179.264 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 11' ' ' LEU . 8.4 mp -58.74 -35.91 73.48 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 119.7 -1.875 . . . . 0.0 110.255 -179.446 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 84.2 mt -66.87 -40.05 84.93 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.082 0 O-C-N 120.754 -1.216 . . . . 0.0 112.598 -178.089 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 63.6 t30 -81.28 -39.53 25.1 Favored 'General case' 0 N--CA 1.51 2.534 0 O-C-N 119.639 -1.913 . . . . 0.0 112.038 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.507 HG13 ' N ' ' A' ' 15' ' ' PHE . 10.6 p -60.0 -42.55 90.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.479 -1.388 . . . . 0.0 108.794 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.507 ' N ' HG13 ' A' ' 14' ' ' VAL . 19.2 t80 -61.71 -40.09 93.83 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.283 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 30.9 t-80 -61.63 -38.44 87.7 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.597 -1.315 . . . . 0.0 110.67 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.06 -55.74 30.84 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -80.08 -43.45 21.75 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 121.137 -0.977 . . . . 0.0 111.462 -178.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 42.5 t -54.92 -28.21 49.17 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 113.506 0.928 . . . . 0.0 113.506 -177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.78 11.21 25.32 Favored Glycine 0 N--CA 1.507 3.367 0 C-N-CA 119.919 -1.134 . . . . 0.0 112.492 -177.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.498 ' C ' ' H ' ' A' ' 23' ' ' GLY . 66.9 mttm -123.18 -74.77 0.61 Allowed 'General case' 0 N--CA 1.502 2.173 0 CA-C-N 118.986 1.393 . . . . 0.0 108.512 179.303 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.32 21.05 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.245 -0.91 . . . . 0.0 111.095 -179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 179.81 -165.06 33.35 Favored Glycine 0 N--CA 1.493 2.472 0 C-N-CA 118.441 -1.838 . . . . 0.0 111.953 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -45.35 153.26 0.24 Allowed 'General case' 0 N--CA 1.495 1.793 0 CA-C-O 121.844 0.831 . . . . 0.0 110.608 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 64.8 mmtt -52.22 -54.12 35.02 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.541 -0.724 . . . . 0.0 112.248 -177.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.7 p90 -131.62 32.61 4.12 Favored 'General case' 0 N--CA 1.507 2.399 0 O-C-N 120.788 -1.195 . . . . 0.0 111.775 -177.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 23.4 tptt -133.36 141.91 48.15 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.774 -1.204 . . . . 0.0 108.365 178.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.6 tp -99.02 111.65 23.99 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 121.792 0.806 . . . . 0.0 110.248 -176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 30' ' ' LYS . 64.0 m -81.33 162.09 23.57 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.064 -1.647 . . . . 0.0 108.882 178.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 29' ' ' SER . 52.0 tttt -44.89 -30.75 1.05 Allowed 'General case' 0 N--CA 1.499 2.025 0 C-N-CA 118.89 -1.124 . . . . 0.0 110.737 179.021 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.6 pttt -82.89 -29.56 29.19 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.619 -1.301 . . . . 0.0 109.556 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -69.93 -42.14 73.68 Favored 'General case' 0 C--N 1.303 -1.415 0 O-C-N 120.801 -1.187 . . . . 0.0 109.745 179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.652 HD12 ' N ' ' A' ' 34' ' ' LYS . 2.3 pp -62.99 -45.73 91.02 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.006 -1.059 . . . . 0.0 110.236 179.301 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.652 ' N ' HD12 ' A' ' 33' ' ' LEU . 75.9 tttt -62.06 -39.66 93.16 Favored 'General case' 0 C--O 1.197 -1.697 0 O-C-N 121.017 -1.052 . . . . 0.0 111.805 -177.534 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.403 ' OD1' ' OG1' ' A' ' 39' ' ' THR . 57.1 t0 -72.45 -39.54 67.72 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.806 -1.184 . . . . 0.0 110.502 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.432 HD11 HG22 ' A' ' 14' ' ' VAL . 63.0 tp -61.15 -50.72 72.03 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.409 -0.807 . . . . 0.0 110.467 -179.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' A' ' 37' ' ' LEU . 2.8 mm? -71.19 -40.39 71.23 Favored 'General case' 0 C--N 1.298 -1.636 0 CA-C-O 122.003 0.906 . . . . 0.0 110.525 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.529 ' NE2' ' NE2' ' A' ' 48' ' ' GLN . 43.9 tt0 -65.81 -40.86 92.28 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.489 -0.757 . . . . 0.0 112.553 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.403 ' OG1' ' OD1' ' A' ' 35' ' ' ASP . 92.8 m -60.05 -50.09 75.08 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 120.984 -1.073 . . . . 0.0 112.53 -174.041 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 89.8 mt-10 -94.5 -12.84 26.87 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 120.64 -1.287 . . . . 0.0 110.444 -178.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.486 HD13 HD13 ' A' ' 45' ' ' LEU . 70.8 mt -131.85 34.09 3.9 Favored 'General case' 0 N--CA 1.499 2.008 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 178.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.52 ' CA ' ' O ' ' A' ' 38' ' ' GLN . 0.6 OUTLIER -50.92 -59.55 4.02 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.569 -0.707 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 75.0 p -75.68 -21.49 57.58 Favored 'General case' 0 C--N 1.3 -1.547 0 N-CA-C 112.804 0.668 . . . . 0.0 112.804 -177.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.615 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.8 t80 -83.24 -104.22 0.04 OUTLIER 'General case' 0 N--CA 1.503 2.214 0 O-C-N 119.974 -1.704 . . . . 0.0 110.798 -178.019 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.615 ' O ' ' O ' ' A' ' 44' ' ' PHE . 7.1 mp -14.86 147.09 0.0 OUTLIER 'General case' 0 N--CA 1.514 2.77 0 CA-C-O 116.919 -1.515 . . . . 0.0 109.496 174.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.522 ' H ' HD22 ' X' ' 8' ' ' ASN . 44.5 t0 -91.23 104.16 16.75 Favored 'General case' 0 N--CA 1.512 2.642 0 CA-C-N 124.912 3.505 . . . . 0.0 108.89 174.378 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.449 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 1.1 m -140.86 -44.83 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.385 0 O-C-N 120.637 -1.29 . . . . 0.0 109.44 179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.529 ' NE2' ' NE2' ' A' ' 38' ' ' GLN . 48.2 mt-30 -78.32 -59.27 2.85 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.29 -0.881 . . . . 0.0 109.687 -179.396 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.453 ' H ' ' HD2' ' A' ' 49' ' ' LYS . 1.6 mptp? -49.74 -59.53 3.73 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.348 -0.845 . . . . 0.0 108.977 -179.777 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.522 ' O ' ' N ' ' A' ' 53' ' ' ALA . 97.0 m-20 -98.68 84.55 3.16 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.319 -0.863 . . . . 0.0 108.965 179.421 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -52.5 -26.37 12.86 Favored 'General case' 0 C--N 1.303 -1.422 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 179.026 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -62.13 -37.92 86.98 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 176.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.522 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.14 -38.61 80.09 Favored 'General case' 0 C--N 1.3 -1.559 0 C-N-CA 118.821 -1.152 . . . . 0.0 109.091 -177.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.458 HG22 HD11 ' A' ' 33' ' ' LEU . 0.4 OUTLIER -60.52 -35.74 65.27 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.867 0 O-C-N 120.576 -1.327 . . . . 0.0 108.867 178.679 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -67.14 -39.96 86.64 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.174 -0.954 . . . . 0.0 110.766 -177.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.94 -39.99 75.75 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.925 -1.11 . . . . 0.0 110.25 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 51.8 mt -67.65 -53.16 33.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 O-C-N 121.332 -0.855 . . . . 0.0 110.328 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.465 ' O ' ' N ' ' A' ' 62' ' ' ASP . 24.6 ttt -60.04 -36.77 78.0 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.498 -0.751 . . . . 0.0 109.075 -179.565 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -59.23 -48.86 80.03 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' OE2' ' C ' ' X' ' 12' ' ' SER . 96.0 mt-10 -60.23 -24.28 64.73 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.264 -1.013 . . . . 0.0 108.264 178.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.513 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.4 mt -91.57 -22.03 20.54 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.444 -0.785 . . . . 0.0 109.772 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' MET . 97.4 m-20 -74.49 44.46 0.21 Allowed 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 107.206 -1.405 . . . . 0.0 107.206 179.646 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.513 ' H ' ' C ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -60.32 -42.06 94.81 Favored 'General case' 0 C--N 1.306 -1.316 0 N-CA-C 108.998 -0.741 . . . . 0.0 108.998 -177.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -76.08 -19.32 58.67 Favored 'General case' 0 C--N 1.298 -1.67 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 178.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.88 34.92 51.88 Favored Glycine 0 N--CA 1.483 1.774 0 N-CA-C 107.443 -2.263 . . . . 0.0 107.443 -179.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 32.4 p-10 -91.87 -8.98 44.96 Favored 'General case' 0 N--CA 1.501 2.122 0 O-C-N 121.647 -0.913 . . . . 0.0 111.644 -177.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.47 6.94 88.13 Favored Glycine 0 N--CA 1.5 2.964 0 N-CA-C 110.162 -1.175 . . . . 0.0 110.162 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -136.2 176.6 8.55 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 107.46 -1.311 . . . . 0.0 107.46 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.7 t -125.95 127.72 71.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.761 -1.212 . . . . 0.0 108.697 -179.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.502 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.2 t0 -95.97 152.96 18.04 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.502 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 32.0 t80 -48.96 -24.74 1.61 Allowed 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.664 -0.648 . . . . 0.0 110.078 -178.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.456 ' O ' HG23 ' A' ' 76' ' ' VAL . 79.1 mt-30 -74.48 -26.35 59.96 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.852 -1.155 . . . . 0.0 108.661 178.62 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ASP . 82.6 mt-10 -85.67 -45.52 11.61 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.987 0.899 . . . . 0.0 109.958 179.409 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 6.9 t80 -62.32 -50.38 71.84 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.126 -178.489 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.738 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.9 t -61.1 -38.16 79.0 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.599 0 O-C-N 121.244 -0.91 . . . . 0.0 110.194 -178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.456 HG23 ' O ' ' A' ' 72' ' ' GLN . 46.8 t -59.87 -39.75 80.86 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.445 0 O-C-N 120.817 -1.177 . . . . 0.0 108.721 177.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -63.22 -53.48 52.36 Favored 'General case' 0 N--CA 1.509 2.489 0 O-C-N 121.19 -0.944 . . . . 0.0 112.701 -178.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.545 ' O ' HG22 ' A' ' 82' ' ' THR . 1.5 t -55.64 -38.07 48.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.848 -1.158 . . . . 0.0 109.204 -178.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.76 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -64.84 -37.92 89.25 Favored 'General case' 0 C--N 1.282 -2.355 0 CA-C-N 115.589 -0.732 . . . . 0.0 110.389 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -78.44 -33.31 48.58 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 115.029 1.492 . . . . 0.0 115.029 -176.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.026 HD13 ' H ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -77.12 -39.33 49.79 Favored 'General case' 0 N--CA 1.515 2.783 0 O-C-N 118.835 -2.416 . . . . 0.0 109.37 -179.436 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 1.026 ' H ' HD13 ' A' ' 81' ' ' LEU . 3.2 t -59.73 -43.14 94.33 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.238 -0.914 . . . . 0.0 110.835 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 8.6 m -59.93 -41.86 87.41 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.689 -1.257 . . . . 0.0 109.806 178.147 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.423 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -64.88 -28.17 69.36 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.866 -0.791 . . . . 0.0 108.866 -179.351 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 51.0 t -67.92 -42.07 81.62 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.57 -0.706 . . . . 0.0 109.674 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -59.8 -40.62 88.97 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.935 -1.103 . . . . 0.0 108.756 179.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -62.39 -34.71 77.25 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.635 -0.666 . . . . 0.0 109.308 179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 59.0 t80 -79.62 -9.46 59.64 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.392 -0.818 . . . . 0.0 110.195 -178.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.5 t80 -94.21 -23.94 17.69 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.942 -1.099 . . . . 0.0 109.735 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.2 t90 -81.59 -11.58 59.08 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.218 -0.926 . . . . 0.0 109.747 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.515 ' OE2' ' CZ ' ' A' ' 88' ' ' PHE . 18.1 pt-20 -70.65 149.68 46.77 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.177 -0.952 . . . . 0.0 108.671 179.587 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.1 m120 54.71 30.76 14.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.337 -0.852 . . . . 0.0 109.882 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 72.8 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.867 -1.063 . . . . 0.0 110.102 179.814 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.875 0 N-CA-C 119.302 2.481 . . . . 0.0 119.302 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 55.7 m -79.19 154.7 29.05 Favored 'General case' 0 N--CA 1.487 1.407 0 O-C-N 121.286 -1.126 . . . . 0.0 109.599 -179.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -46.17 -55.14 7.48 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.497 -0.752 . . . . 0.0 110.377 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.425 HD11 HG11 ' A' ' 78' ' ' VAL . 56.4 tp -65.55 -42.0 92.37 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.238 -0.914 . . . . 0.0 109.067 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -63.04 -40.22 97.06 Favored 'General case' 0 N--CA 1.498 1.975 0 O-C-N 121.293 -0.88 . . . . 0.0 109.368 179.521 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.441 ' O ' ' OG1' ' B' ' 10' ' ' THR . 31.0 m -47.87 -44.52 29.39 Favored 'General case' 0 C--N 1.302 -1.499 0 CA-C-O 122.223 1.011 . . . . 0.0 109.364 179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.0 -29.32 69.12 Favored 'General case' 0 N--CA 1.494 1.74 0 CA-C-N 115.299 -0.864 . . . . 0.0 113.256 -178.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.4 ttt -69.98 -51.91 28.59 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.654 -1.279 . . . . 0.0 111.06 -177.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -67.17 -30.4 70.35 Favored 'General case' 0 C--N 1.29 -2.006 0 O-C-N 121.55 -0.718 . . . . 0.0 110.169 -177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -60.37 -56.19 24.45 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.263 -0.898 . . . . 0.0 110.487 -179.227 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.475 ' N ' HD12 ' B' ' 11' ' ' LEU . 8.6 mp -57.78 -36.5 72.23 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 119.84 -1.788 . . . . 0.0 110.303 -179.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.5 mt -66.58 -39.6 84.28 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.97 0 O-C-N 120.97 -1.081 . . . . 0.0 112.688 -178.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 64.6 t30 -82.12 -39.69 22.95 Favored 'General case' 0 N--CA 1.508 2.459 0 O-C-N 119.744 -1.847 . . . . 0.0 112.276 -178.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.512 HG13 ' N ' ' B' ' 15' ' ' PHE . 10.7 p -59.97 -42.32 89.14 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 O-C-N 120.687 -1.258 . . . . 0.0 108.607 -179.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.512 ' N ' HG13 ' B' ' 14' ' ' VAL . 27.1 t80 -61.94 -39.87 93.56 Favored 'General case' 0 N--CA 1.499 1.976 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.516 178.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 28.7 t-80 -61.53 -39.12 89.9 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.738 -1.227 . . . . 0.0 110.442 179.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.93 -55.46 34.35 Favored 'General case' 0 N--CA 1.506 2.354 0 N-CA-C 113.569 0.951 . . . . 0.0 113.569 -177.465 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 53.3 m80 -80.15 -43.19 22.06 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 121.022 -1.049 . . . . 0.0 111.515 -178.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 34.6 t -55.06 -28.69 54.17 Favored 'General case' 0 C--N 1.288 -2.08 0 N-CA-C 113.608 0.966 . . . . 0.0 113.608 -177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.69 11.62 25.44 Favored Glycine 0 N--CA 1.506 3.311 0 C-N-CA 119.776 -1.202 . . . . 0.0 112.329 -177.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.49 ' C ' ' H ' ' B' ' 23' ' ' GLY . 67.0 mttm -123.26 -74.65 0.61 Allowed 'General case' 0 N--CA 1.5 2.026 0 CA-C-N 118.896 1.348 . . . . 0.0 108.534 179.317 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -65.54 20.41 0.02 OUTLIER 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.064 -1.023 . . . . 0.0 110.947 -179.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -178.84 -164.02 30.95 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 118.317 -1.896 . . . . 0.0 112.106 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -45.89 152.61 0.35 Allowed 'General case' 0 N--CA 1.494 1.738 0 CA-C-O 121.605 0.717 . . . . 0.0 110.689 -179.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -51.81 -54.18 31.71 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.476 -0.765 . . . . 0.0 111.91 -177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -131.13 31.44 4.42 Favored 'General case' 0 N--CA 1.51 2.564 0 O-C-N 120.759 -1.213 . . . . 0.0 112.206 -177.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 23.1 tptt -132.3 142.12 49.24 Favored 'General case' 0 N--CA 1.506 2.343 0 O-C-N 120.892 -1.13 . . . . 0.0 108.305 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.7 tp -99.26 111.4 23.79 Favored 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.829 0.823 . . . . 0.0 109.942 -176.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.402 ' O ' ' C ' ' B' ' 30' ' ' LYS . 68.5 m -81.07 161.86 23.98 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.066 -1.646 . . . . 0.0 108.691 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.417 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 55.1 tttt -45.32 -30.13 1.21 Allowed 'General case' 0 N--CA 1.501 2.088 0 C-N-CA 118.677 -1.209 . . . . 0.0 110.823 179.454 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.8 pttt -82.79 -29.45 29.59 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.486 -1.383 . . . . 0.0 109.469 179.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -69.92 -41.66 74.34 Favored 'General case' 0 N--CA 1.488 1.459 0 O-C-N 120.815 -1.178 . . . . 0.0 109.764 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.65 HD12 ' N ' ' B' ' 34' ' ' LYS . 2.4 pp -63.54 -45.36 90.9 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.172 -0.955 . . . . 0.0 110.036 179.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.65 ' N ' HD12 ' B' ' 33' ' ' LEU . 78.2 tttt -62.51 -39.78 94.62 Favored 'General case' 0 C--O 1.196 -1.753 0 O-C-N 120.851 -1.156 . . . . 0.0 111.782 -177.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.421 ' OD1' ' OG1' ' B' ' 39' ' ' THR . 57.0 t0 -72.05 -38.99 69.39 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.95 -1.094 . . . . 0.0 110.63 -178.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.417 HD11 HG22 ' B' ' 14' ' ' VAL . 62.8 tp -61.82 -51.76 66.95 Favored 'General case' 0 N--CA 1.491 1.598 0 CA-C-O 121.713 0.768 . . . . 0.0 110.348 -178.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' B' ' 37' ' ' LEU . 2.7 mm? -70.18 -40.02 74.92 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.893 0.854 . . . . 0.0 110.385 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.509 ' O ' ' CA ' ' B' ' 42' ' ' SER . 45.0 tt0 -66.86 -40.65 87.92 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.506 -0.746 . . . . 0.0 112.527 -177.794 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.421 ' OG1' ' OD1' ' B' ' 35' ' ' ASP . 92.0 m -59.42 -50.53 73.6 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.945 -1.097 . . . . 0.0 112.746 -174.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 89.2 mt-10 -94.36 -13.58 26.23 Favored 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.618 -1.301 . . . . 0.0 110.503 -178.557 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.439 HD13 HD13 ' B' ' 45' ' ' LEU . 68.1 mt -131.33 34.44 3.98 Favored 'General case' 0 N--CA 1.501 2.08 0 N-CA-C 108.226 -1.028 . . . . 0.0 108.226 178.481 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.509 ' CA ' ' O ' ' B' ' 38' ' ' GLN . 0.6 OUTLIER -51.21 -58.55 5.86 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-O 121.571 0.701 . . . . 0.0 110.648 -179.873 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 59.5 p -76.59 -19.94 57.32 Favored 'General case' 0 C--N 1.297 -1.694 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -177.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.435 ' CD1' ' C ' ' B' ' 44' ' ' PHE . 1.8 t80 -85.25 -90.81 0.1 Allowed 'General case' 0 N--CA 1.501 2.099 0 O-C-N 120.125 -1.609 . . . . 0.0 112.419 -177.352 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.439 HD13 HD13 ' B' ' 41' ' ' LEU . 6.1 mp -38.6 153.8 0.02 OUTLIER 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 108.057 -1.09 . . . . 0.0 108.057 -177.035 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 41.5 t0 -90.82 102.82 15.58 Favored 'General case' 0 N--CA 1.498 1.968 0 CA-C-N 123.01 2.641 . . . . 0.0 108.522 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.437 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 1.4 m -139.88 -44.57 0.28 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.229 0 O-C-N 120.842 -1.161 . . . . 0.0 109.213 178.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.492 ' NE2' ' NE2' ' B' ' 38' ' ' GLN . 46.0 mt-30 -79.07 -59.87 2.6 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.255 -0.903 . . . . 0.0 109.732 -179.097 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.491 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.1 mptp? -49.63 -59.56 3.67 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.379 -0.826 . . . . 0.0 108.852 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.489 ' O ' ' N ' ' B' ' 53' ' ' ALA . 96.4 m-20 -98.09 86.54 3.72 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.192 -0.942 . . . . 0.0 108.952 179.013 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.9 -26.95 27.51 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 106.82 -1.548 . . . . 0.0 106.82 178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -61.22 -38.95 88.46 Favored 'General case' 0 C--N 1.301 -1.5 0 N-CA-C 107.802 -1.184 . . . . 0.0 107.802 176.48 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.489 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -58.21 -40.02 80.51 Favored 'General case' 0 C--N 1.302 -1.476 0 C-N-CA 118.96 -1.096 . . . . 0.0 108.978 -177.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.481 HG22 HD11 ' B' ' 33' ' ' LEU . 0.4 OUTLIER -59.93 -35.43 60.74 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.032 0 O-C-N 120.341 -1.474 . . . . 0.0 108.962 179.268 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.417 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 94.4 m-20 -67.25 -39.8 86.19 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.25 -0.906 . . . . 0.0 110.965 -178.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -69.85 -39.62 76.29 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.826 -1.171 . . . . 0.0 110.446 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 50.0 mt -68.29 -53.29 29.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.652 0 O-C-N 121.404 -0.81 . . . . 0.0 110.394 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.469 ' O ' ' N ' ' B' ' 62' ' ' ASP . 24.4 ttt -60.07 -36.59 77.71 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 -179.358 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 15.6 ttpt -58.9 -48.99 79.48 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -60.9 -22.67 64.55 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.26 -0.9 . . . . 0.0 108.696 178.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' B' ' 63' ' ' GLU . 28.0 mt -92.38 -23.01 19.35 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.464 -0.772 . . . . 0.0 109.516 178.765 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' B' ' 58' ' ' MET . 97.9 m-20 -73.55 43.35 0.14 Allowed 'General case' 0 C--N 1.298 -1.646 0 N-CA-C 107.551 -1.277 . . . . 0.0 107.551 179.496 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -59.89 -41.83 92.48 Favored 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -177.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -75.89 -19.73 58.6 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.47 35.4 52.1 Favored Glycine 0 N--CA 1.481 1.655 0 N-CA-C 107.663 -2.175 . . . . 0.0 107.663 -178.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 33.4 p-10 -91.42 -9.53 44.34 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.561 -0.964 . . . . 0.0 111.546 -177.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.16 7.47 88.44 Favored Glycine 0 N--CA 1.497 2.717 0 N-CA-C 109.954 -1.259 . . . . 0.0 109.954 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -136.85 176.67 8.49 Favored 'General case' 0 N--CA 1.485 1.307 0 N-CA-C 107.384 -1.339 . . . . 0.0 107.384 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -126.09 127.5 70.98 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.035 -1.041 . . . . 0.0 108.855 -179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.519 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 43.6 t0 -96.05 152.81 18.19 Favored 'General case' 0 N--CA 1.491 1.625 0 CA-C-O 121.867 0.841 . . . . 0.0 108.867 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.519 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 29.5 t80 -48.71 -25.08 1.62 Allowed 'General case' 0 C--N 1.296 -1.736 0 O-C-N 121.573 -0.705 . . . . 0.0 110.258 -178.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.486 ' O ' HG23 ' B' ' 76' ' ' VAL . 78.2 mt-30 -75.2 -25.03 57.9 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.761 -1.212 . . . . 0.0 108.54 178.773 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.3 mt-10 -86.17 -46.02 10.79 Favored 'General case' 0 C--N 1.302 -1.478 0 CA-C-O 122.011 0.91 . . . . 0.0 109.727 179.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 7.7 t80 -61.41 -51.19 69.76 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.141 -178.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.76 HG12 ' HB1' ' A' ' 79' ' ' ALA . 56.0 t -60.56 -38.12 77.28 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.289 -0.882 . . . . 0.0 110.012 -178.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.486 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.4 t -60.17 -39.44 80.59 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 120.821 -1.174 . . . . 0.0 109.184 177.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.69 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -63.37 -54.03 43.29 Favored 'General case' 0 N--CA 1.51 2.528 0 O-C-N 121.244 -0.91 . . . . 0.0 112.395 -178.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.519 ' O ' HG22 ' B' ' 82' ' ' THR . 1.5 t -54.9 -39.03 47.03 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 O-C-N 120.948 -1.095 . . . . 0.0 109.499 -178.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.738 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -64.38 -38.66 91.8 Favored 'General case' 0 C--N 1.278 -2.514 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.071 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.443 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.19 -34.0 56.26 Favored 'General case' 0 N--CA 1.496 1.858 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -176.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 1.018 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -76.89 -38.88 52.76 Favored 'General case' 0 N--CA 1.515 2.799 0 O-C-N 118.811 -2.43 . . . . 0.0 109.743 -179.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 1.018 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.4 t -60.07 -42.0 93.64 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.469 -0.769 . . . . 0.0 110.85 -179.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 12.8 m -60.78 -42.19 91.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.774 0 O-C-N 120.826 -1.171 . . . . 0.0 109.707 178.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.425 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -64.43 -29.11 70.17 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.8 t -66.76 -41.55 87.56 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.558 -0.714 . . . . 0.0 109.763 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -60.24 -40.38 90.06 Favored 'General case' 0 N--CA 1.487 1.421 0 O-C-N 121.187 -0.946 . . . . 0.0 108.833 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -63.0 -34.77 78.27 Favored 'General case' 0 N--CA 1.488 1.471 0 CA-C-O 121.642 0.734 . . . . 0.0 109.299 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.531 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 56.8 t80 -79.08 -10.06 59.72 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.368 -0.832 . . . . 0.0 110.294 -178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -93.8 -24.33 17.82 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.951 -1.093 . . . . 0.0 109.75 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 t90 -81.72 -10.13 59.45 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.15 -0.969 . . . . 0.0 109.735 -179.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.529 ' OE2' ' CZ ' ' B' ' 88' ' ' PHE . 17.5 pt-20 -71.7 149.62 45.3 Favored 'General case' 0 C--N 1.299 -1.609 0 N-CA-C 108.515 -0.92 . . . . 0.0 108.515 179.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 33.1 m120 54.37 31.48 14.58 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.324 -0.86 . . . . 0.0 109.826 179.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 68.5 m . . . . . 0 N--CA 1.494 1.749 0 CA-C-O 117.784 -1.103 . . . . 0.0 110.053 179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . 0.408 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 44.8 p . . . . . 0 N--CA 1.488 1.449 0 N-CA-C 109.554 -0.535 . . . . 0.0 109.554 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.408 ' N ' ' OG1' ' X' ' 1' ' ' THR . 72.8 mmt-85 -63.92 -42.24 97.45 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.207 -0.933 . . . . 0.0 109.623 -179.657 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 28.8 p -144.16 -44.44 0.26 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.919 . . . . 0.0 108.819 179.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.437 ' HE3' ' H ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -76.66 160.2 29.58 Favored 'General case' 0 C--N 1.304 -1.394 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 179.672 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.554 ' O ' ' N ' ' X' ' 7' ' ' TRP . 43.2 pt -79.11 -31.61 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.392 -0.817 . . . . 0.0 111.539 -178.322 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.448 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 4.7 p-10 41.99 17.69 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.117 0 O-C-N 121.115 -0.99 . . . . 0.0 110.855 -179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.61 ' O ' HG22 ' X' ' 10' ' ' ILE . 31.9 t90 -61.02 -50.03 75.03 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 120.566 -1.334 . . . . 0.0 109.98 179.71 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.822 ' ND2' HD11 ' A' ' 81' ' ' LEU . 0.2 OUTLIER -51.26 -29.88 16.0 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.458 -1.402 . . . . 0.0 108.629 -179.799 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.433 ' O ' ' OXT' ' X' ' 12' ' ' SER . 73.6 tttt -60.0 -30.23 69.0 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 106.769 -1.567 . . . . 0.0 106.769 178.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.61 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.4 tt -49.01 -38.44 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.719 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 178.533 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 30.9 tp -67.84 -42.02 82.06 Favored 'General case' 0 N--CA 1.493 1.702 0 C-N-CA 119.794 -0.762 . . . . 0.0 109.296 178.604 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.433 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 8.9 t . . . . . 0 N--CA 1.496 1.826 0 O-C-N 121.09 -1.006 . . . . 0.0 109.625 179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.492 1.662 0 N-CA-C 109.217 -0.66 . . . . 0.0 109.217 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 52.77 -165.95 0.07 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.41 -0.806 . . . . 0.0 109.656 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 32.5 p -137.69 128.88 27.67 Favored 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 108.623 -0.881 . . . . 0.0 108.623 179.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.438 ' H ' ' HG2' ' Y' ' 4' ' ' LYS . 18.9 pttt -61.52 -51.76 67.3 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.048 -1.033 . . . . 0.0 110.603 -179.274 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -145.13 128.98 12.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 O-C-N 120.603 -1.311 . . . . 0.0 108.208 179.273 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 35.4 p-10 -139.76 18.54 2.5 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 179.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.7 ' O ' HG22 ' Y' ' 10' ' ' ILE . 2.0 p-90 -60.49 -43.51 96.92 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.254 -0.904 . . . . 0.0 110.269 -178.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.472 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 19.8 t30 -51.37 -39.69 57.63 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 119.726 -1.859 . . . . 0.0 108.894 179.85 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 31.0 mttm -60.2 -22.96 63.61 Favored 'General case' 0 C--N 1.297 -1.701 0 N-CA-C 107.594 -1.262 . . . . 0.0 107.594 178.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.7 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -52.55 -36.92 23.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.129 0 N-CA-C 106.802 -1.555 . . . . 0.0 106.802 178.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 47.6 tp -66.39 -40.07 89.43 Favored 'General case' 0 C--N 1.304 -1.41 0 N-CA-C 108.439 -0.948 . . . . 0.0 108.439 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 17.0 m . . . . . 0 N--CA 1.493 1.697 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.765 -179.437 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.801 0 N-CA-C 119.394 2.518 . . . . 0.0 119.394 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.1 t -74.26 157.19 36.28 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.249 -1.148 . . . . 0.0 109.379 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -45.48 -51.81 11.11 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.171 -0.956 . . . . 0.0 110.817 -178.304 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.539 ' O ' HD23 ' A' ' 4' ' ' LEU . 2.7 tt -68.73 -40.21 80.0 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 120.914 -1.116 . . . . 0.0 108.957 -179.468 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -60.18 -39.32 86.07 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.136 -0.977 . . . . 0.0 108.999 179.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.44 ' O ' ' OG1' ' A' ' 10' ' ' THR . 79.2 m -56.29 -49.52 74.03 Favored 'General case' 0 C--N 1.302 -1.484 0 CA-C-O 121.89 0.852 . . . . 0.0 110.177 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.52 -28.35 69.25 Favored 'General case' 0 N--CA 1.487 1.39 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.019 -178.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 20.9 ttt -70.12 -50.09 44.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 120.676 -1.265 . . . . 0.0 110.364 -178.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -69.9 -28.29 65.5 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 121.499 -0.75 . . . . 0.0 110.239 -177.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.39 -59.85 4.39 Favored 'General case' 0 C--N 1.302 -1.475 0 O-C-N 120.997 -1.064 . . . . 0.0 108.942 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.1 mp -47.19 -39.46 13.97 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 120.328 -1.483 . . . . 0.0 109.289 179.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 80.6 mt -69.14 -24.77 28.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.835 0 O-C-N 121.229 -0.919 . . . . 0.0 110.406 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.418 ' N ' ' O ' ' A' ' 10' ' ' THR . 95.5 m-20 -79.58 -54.21 6.11 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 121.003 -1.061 . . . . 0.0 112.588 -179.429 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.546 HG13 ' N ' ' A' ' 15' ' ' PHE . 9.2 p -65.87 -46.49 88.43 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.363 -0.836 . . . . 0.0 110.823 -177.681 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.546 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.8 t80 -60.62 -40.15 90.82 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 121.352 -0.842 . . . . 0.0 109.835 -179.446 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 85.5 t60 -60.06 -39.93 87.73 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.576 -1.327 . . . . 0.0 109.722 179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.01 -56.8 17.39 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 113.444 0.905 . . . . 0.0 113.444 -177.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.32 -40.18 64.68 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.926 -1.109 . . . . 0.0 110.868 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.2 p -67.67 -22.89 65.27 Favored 'General case' 0 C--N 1.291 -1.951 0 N-CA-C 113.285 0.846 . . . . 0.0 113.285 -177.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.33 0.93 40.27 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.694 -1.254 . . . . 0.0 112.359 -177.255 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.579 ' C ' ' H ' ' A' ' 23' ' ' GLY . 56.1 mtmt -124.4 -67.0 0.94 Allowed 'General case' 0 N--CA 1.502 2.125 0 CA-C-N 119.052 1.426 . . . . 0.0 109.407 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 73.9 mm-40 -64.2 17.73 0.02 OUTLIER 'General case' 0 C--N 1.292 -1.892 0 O-C-N 121.116 -0.99 . . . . 0.0 109.96 -179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 178.39 -172.73 45.18 Favored Glycine 0 N--CA 1.487 2.07 0 C-N-CA 119.081 -1.533 . . . . 0.0 111.449 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 39.8 t0 -38.78 154.49 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.955 0 CA-C-O 121.249 0.547 . . . . 0.0 109.722 -179.04 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.536 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 69.8 mttt -59.95 -48.12 83.01 Favored 'General case' 0 C--N 1.301 -1.52 0 O-C-N 121.185 -0.947 . . . . 0.0 113.052 -176.368 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 42.2 p90 -122.71 29.75 6.73 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 120.289 -1.507 . . . . 0.0 111.939 -177.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 65.8 tttt -139.64 147.96 41.77 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.625 -1.297 . . . . 0.0 110.153 179.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.509 HD13 ' CE2' ' A' ' 15' ' ' PHE . 3.4 tp -92.85 153.98 18.51 Favored 'General case' 0 C--N 1.296 -1.747 0 CA-C-N 114.901 -1.045 . . . . 0.0 108.846 -179.001 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.598 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 22.8 t -128.38 156.21 43.49 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.708 -1.219 . . . . 0.0 107.708 179.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' C ' ' O ' ' A' ' 29' ' ' SER . 23.4 tptm -43.17 -35.45 1.38 Allowed 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 119.115 -1.034 . . . . 0.0 111.669 -179.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 70.0 tttt -83.29 -27.2 29.98 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.083 -1.636 . . . . 0.0 110.697 -178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.598 ' HB2' ' H ' ' A' ' 29' ' ' SER . 52.4 mt-10 -71.1 -40.21 71.65 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.828 -1.17 . . . . 0.0 110.059 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 29' ' ' SER . 0.0 OUTLIER -62.09 -43.26 99.22 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.775 -1.203 . . . . 0.0 108.837 178.464 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.506 ' HZ3' ' HB3' ' A' ' 48' ' ' GLN . 5.2 tmtt? -57.65 -45.1 85.93 Favored 'General case' 0 N--CA 1.497 1.912 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.93 -176.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 84.9 m-20 -76.53 -28.88 56.51 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 120.905 -1.122 . . . . 0.0 110.922 -179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD11 HG22 ' A' ' 14' ' ' VAL . 57.6 tp -62.26 -50.11 73.01 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 120.774 -1.203 . . . . 0.0 110.141 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.516 HD12 ' N ' ' A' ' 37' ' ' LEU . 10.8 mp -77.45 -40.64 42.57 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 122.162 0.982 . . . . 0.0 111.864 -179.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 38.6 tt0 -67.74 -40.0 84.18 Favored 'General case' 0 C--N 1.3 -1.587 0 CA-C-O 122.042 0.925 . . . . 0.0 110.072 -177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 78.5 m -60.38 -49.96 75.5 Favored 'General case' 0 N--CA 1.492 1.64 0 C-N-CA 119.727 -0.789 . . . . 0.0 111.271 -177.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.4 mt-10 -101.58 -21.25 14.76 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 121.201 -0.937 . . . . 0.0 111.972 -177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.64 HD13 HD23 ' A' ' 45' ' ' LEU . 89.5 mt -133.62 64.16 1.61 Allowed 'General case' 0 N--CA 1.506 2.369 0 O-C-N 120.864 -1.148 . . . . 0.0 110.44 -179.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.7 p -74.21 -42.56 59.6 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.282 -0.886 . . . . 0.0 109.911 179.217 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.471 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 59.5 p -70.76 -41.58 71.59 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.3 -0.875 . . . . 0.0 112.016 -178.281 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.598 ' O ' ' C ' ' A' ' 45' ' ' LEU . 14.4 t80 -88.18 -107.47 0.07 Allowed 'General case' 0 N--CA 1.501 2.083 0 O-C-N 120.555 -1.341 . . . . 0.0 111.09 -178.458 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.64 HD23 HD13 ' A' ' 41' ' ' LEU . 3.2 mm? -7.13 128.49 0.0 OUTLIER 'General case' 0 N--CA 1.53 3.542 0 CA-C-O 114.834 -2.508 . . . . 0.0 108.853 177.709 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.558 ' CG ' ' H ' ' X' ' 8' ' ' ASN . 1.3 m-20 -91.3 118.73 30.75 Favored 'General case' 0 N--CA 1.517 2.919 1 CA-C-N 128.002 4.91 . . . . 0.0 110.051 178.239 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.475 HG23 ' N ' ' A' ' 48' ' ' GLN . 10.7 m -146.37 -41.2 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 120.855 -1.153 . . . . 0.0 110.315 179.271 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.506 ' HB3' ' HZ3' ' A' ' 34' ' ' LYS . 17.2 pt20 -98.39 -40.33 8.35 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.049 -1.032 . . . . 0.0 111.433 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.471 ' NZ ' ' O ' ' A' ' 43' ' ' SER . 51.7 mtmt -61.97 -27.36 68.79 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.227 -0.921 . . . . 0.0 109.245 -179.259 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.539 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 0.9 OUTLIER -139.72 86.67 2.12 Favored 'General case' 0 C--N 1.3 -1.569 0 N-CA-C 108.262 -1.014 . . . . 0.0 108.262 178.602 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -30.06 39.44 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -60.04 -40.1 88.21 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 176.709 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -61.12 -41.22 96.32 Favored 'General case' 0 C--N 1.304 -1.401 0 C-N-CA 118.806 -1.157 . . . . 0.0 109.598 -178.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.65 -36.4 70.34 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 120.862 -1.149 . . . . 0.0 109.209 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.6 m-20 -68.83 -40.02 79.68 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.023 -1.048 . . . . 0.0 111.272 -177.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -65.95 -40.12 91.06 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 120.984 -1.072 . . . . 0.0 110.471 -178.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.7 -53.52 21.83 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.833 0 O-C-N 121.562 -0.711 . . . . 0.0 111.274 -179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.87 -35.97 81.76 Favored 'General case' 0 C--N 1.296 -1.74 0 O-C-N 121.085 -1.009 . . . . 0.0 110.964 -178.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.96 -40.9 90.65 Favored 'General case' 0 C--N 1.296 -1.758 0 N-CA-C 107.243 -1.391 . . . . 0.0 107.243 179.625 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 55.6 tp10 -65.5 -26.92 68.12 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 108.504 -0.924 . . . . 0.0 108.504 179.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.577 ' O ' ' N ' ' A' ' 63' ' ' GLU . 48.5 mt -85.27 -33.1 22.23 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.372 -0.83 . . . . 0.0 109.567 179.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -69.96 57.88 0.15 Allowed 'General case' 0 C--N 1.301 -1.516 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.577 ' N ' ' O ' ' A' ' 61' ' ' LEU . 45.7 mt-10 -60.13 -39.72 87.28 Favored 'General case' 0 C--N 1.304 -1.383 0 N-CA-C 108.73 -0.841 . . . . 0.0 108.73 -178.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.7 t-20 -70.41 -23.79 62.81 Favored 'General case' 0 C--N 1.304 -1.386 0 N-CA-C 105.298 -2.112 . . . . 0.0 105.298 177.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.79 40.97 7.41 Favored Glycine 0 N--CA 1.484 1.857 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 178.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 33.3 p-10 -99.02 -122.08 0.14 Allowed 'General case' 0 N--CA 1.503 2.207 0 CA-C-N 118.635 1.217 . . . . 0.0 108.167 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.45 ' H ' ' CG ' ' A' ' 66' ' ' ASP . . . -157.16 21.48 0.43 Allowed Glycine 0 N--CA 1.499 2.847 0 N-CA-C 109.059 -1.616 . . . . 0.0 109.059 179.247 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -136.22 176.56 8.58 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.594 -1.632 . . . . 0.0 106.594 179.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -138.78 137.54 42.77 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 120.528 -1.358 . . . . 0.0 108.917 -178.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 34.3 t0 -97.6 167.99 10.63 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.364 -0.835 . . . . 0.0 109.734 -179.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.607 ' O ' HG23 ' A' ' 75' ' ' VAL . 43.2 t80 -59.94 -35.48 75.03 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.595 -0.69 . . . . 0.0 109.414 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.532 ' HA ' HG11 ' B' ' 83' ' ' VAL . 62.8 tt0 -70.04 -24.22 63.23 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.861 -1.15 . . . . 0.0 109.904 179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.499 ' O ' HD22 ' A' ' 61' ' ' LEU . 49.1 mt-10 -83.59 -53.63 5.52 Favored 'General case' 0 C--N 1.306 -1.308 0 O-C-N 121.552 -0.718 . . . . 0.0 110.574 -179.109 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.6 -32.47 65.98 Favored 'General case' 0 C--N 1.304 -1.372 0 C-N-CA 119.163 -1.015 . . . . 0.0 111.191 -178.162 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 71' ' ' PHE . 54.9 t -60.04 -39.7 81.08 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 120.98 -1.075 . . . . 0.0 108.558 179.788 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.1 t -59.79 -40.08 81.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 C-N-CA 119.138 -1.025 . . . . 0.0 108.412 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.713 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.2 tm? -62.49 -50.03 73.05 Favored 'General case' 0 N--CA 1.509 2.485 0 O-C-N 121.507 -0.746 . . . . 0.0 112.862 -178.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 12.4 m -59.95 -32.92 51.14 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.311 0 O-C-N 120.176 -1.578 . . . . 0.0 109.853 -179.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' B' ' 79' ' ' ALA . . . -68.89 -39.34 79.79 Favored 'General case' 0 C--N 1.294 -1.807 0 CA-C-O 121.766 0.793 . . . . 0.0 110.022 178.053 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.408 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.49 -23.92 56.84 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.243 -0.91 . . . . 0.0 112.767 -177.602 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.822 HD11 ' ND2' ' X' ' 8' ' ' ASN . 1.0 OUTLIER -84.41 -41.56 16.55 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 119.812 -1.805 . . . . 0.0 109.977 -179.708 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.413 HG23 ' N ' ' A' ' 83' ' ' VAL . 1.7 t -52.91 -47.18 68.14 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.756 -1.215 . . . . 0.0 109.178 178.221 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.539 HG12 ' CD2' ' B' ' 71' ' ' PHE . 13.8 m -59.89 -40.19 82.15 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.06 0 O-C-N 121.208 -0.933 . . . . 0.0 110.051 177.594 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.433 ' HB3' ' CZ2' ' X' ' 7' ' ' TRP . . . -60.23 -25.57 65.74 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.142 -0.974 . . . . 0.0 108.896 -179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 37.7 t -69.94 -38.83 76.3 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.438 -0.789 . . . . 0.0 108.945 178.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.567 ' ND2' ' CE2' ' B' ' 71' ' ' PHE . 66.4 m-20 -59.93 -36.3 76.76 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 108.58 -0.896 . . . . 0.0 108.58 179.275 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 50.6 t30 -59.99 -38.93 84.01 Favored 'General case' 0 C--N 1.299 -1.612 0 N-CA-C 107.819 -1.178 . . . . 0.0 107.819 179.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.65 36.89 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.348 -0.845 . . . . 0.0 109.224 179.648 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.512 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 62.2 t80 -79.53 -10.96 59.89 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 120.938 -1.101 . . . . 0.0 109.193 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -58.77 -24.78 62.28 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.187 -0.946 . . . . 0.0 108.475 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.0 mm-40 -59.87 -38.56 82.53 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 93' ' ' SER . 35.7 m120 -78.91 -4.33 49.22 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.385 -0.822 . . . . 0.0 109.479 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 92' ' ' ASN . 8.9 t . . . . . 0 N--CA 1.492 1.638 0 CA-C-O 118.09 -0.957 . . . . 0.0 109.447 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.928 0 N-CA-C 119.511 2.564 . . . . 0.0 119.511 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 43.9 t -74.09 157.27 36.35 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.209 -1.171 . . . . 0.0 109.342 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -45.86 -51.57 12.81 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.096 -1.003 . . . . 0.0 110.694 -178.192 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.531 ' O ' HD23 ' B' ' 4' ' ' LEU . 2.7 tt -68.74 -40.03 80.05 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 120.898 -1.126 . . . . 0.0 109.066 -179.415 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -60.16 -39.35 86.08 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.11 -0.994 . . . . 0.0 109.095 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' B' ' 10' ' ' THR . 82.9 m -56.24 -49.45 74.13 Favored 'General case' 0 C--N 1.302 -1.488 0 CA-C-O 121.804 0.811 . . . . 0.0 110.166 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.2 69.13 Favored 'General case' 0 N--CA 1.487 1.417 0 CA-C-N 116.105 -0.498 . . . . 0.0 112.135 -178.582 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 21.5 ttt -70.33 -50.23 41.29 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 120.661 -1.274 . . . . 0.0 110.498 -178.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -69.84 -28.52 65.75 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.59 -0.694 . . . . 0.0 110.15 -177.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -62.05 -59.99 4.27 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.996 -1.065 . . . . 0.0 109.076 179.904 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' B' ' 10' ' ' THR . 9.1 mp -47.09 -39.71 13.77 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 120.185 -1.572 . . . . 0.0 109.295 179.504 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.97 -24.87 28.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 O-C-N 121.193 -0.942 . . . . 0.0 110.497 179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.415 ' N ' ' O ' ' B' ' 10' ' ' THR . 95.4 m-20 -79.63 -54.1 6.21 Favored 'General case' 0 N--CA 1.504 2.228 0 O-C-N 120.971 -1.08 . . . . 0.0 112.575 -179.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.551 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.1 p -65.78 -46.54 88.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.411 -0.806 . . . . 0.0 110.914 -177.691 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.551 ' N ' HG13 ' B' ' 14' ' ' VAL . 1.6 t80 -60.69 -40.1 90.92 Favored 'General case' 0 C--N 1.292 -1.924 0 O-C-N 121.418 -0.801 . . . . 0.0 109.94 -179.485 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -60.18 -39.65 87.24 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.478 -1.389 . . . . 0.0 109.672 179.191 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.11 -57.0 14.76 Favored 'General case' 0 N--CA 1.503 2.213 0 N-CA-C 113.352 0.871 . . . . 0.0 113.352 -177.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -73.13 -40.56 64.82 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.889 -1.132 . . . . 0.0 110.783 -178.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 32.0 p -67.21 -22.96 65.69 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 113.386 0.884 . . . . 0.0 113.386 -178.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.31 0.91 40.33 Favored Glycine 0 N--CA 1.506 3.347 0 O-C-N 120.773 -1.204 . . . . 0.0 112.38 -177.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.566 ' C ' ' H ' ' B' ' 23' ' ' GLY . 55.6 mtmt -124.41 -67.0 0.94 Allowed 'General case' 0 N--CA 1.501 2.122 0 CA-C-N 119.087 1.444 . . . . 0.0 109.451 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -63.96 17.25 0.02 OUTLIER 'General case' 0 C--N 1.293 -1.861 0 O-C-N 121.119 -0.988 . . . . 0.0 109.919 -179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.566 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 178.73 -172.54 44.85 Favored Glycine 0 N--CA 1.488 2.108 0 C-N-CA 119.153 -1.499 . . . . 0.0 111.459 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 40.0 t0 -38.99 154.5 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.89 0 CA-C-O 121.271 0.558 . . . . 0.0 109.733 -179.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.537 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 69.5 mttt -59.9 -48.11 83.04 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.195 -0.941 . . . . 0.0 113.037 -176.339 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.0 p90 -122.59 29.53 6.86 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.226 -1.546 . . . . 0.0 112.078 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.1 tttt -139.4 147.48 41.52 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.593 -1.317 . . . . 0.0 110.184 179.501 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.525 HD13 ' CE2' ' B' ' 15' ' ' PHE . 3.2 tp -92.31 154.0 18.86 Favored 'General case' 0 C--N 1.295 -1.788 0 CA-C-N 114.877 -1.056 . . . . 0.0 108.86 -179.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.597 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.2 t -128.44 156.19 43.59 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 23.6 tptm -43.11 -35.43 1.33 Allowed 'General case' 0 N--CA 1.502 2.166 0 O-C-N 121.063 -1.023 . . . . 0.0 111.767 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 69.6 tttt -83.06 -27.57 30.17 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.109 -1.619 . . . . 0.0 110.727 -178.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.597 ' HB2' ' H ' ' B' ' 29' ' ' SER . 53.0 mt-10 -70.87 -40.35 72.35 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.736 -1.228 . . . . 0.0 110.125 -179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.405 ' CD2' ' O ' ' B' ' 29' ' ' SER . 0.0 OUTLIER -62.34 -42.92 99.78 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.712 -1.243 . . . . 0.0 108.939 178.45 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.522 ' HZ3' ' HB3' ' B' ' 48' ' ' GLN . 4.1 tmtt? -57.32 -45.51 84.16 Favored 'General case' 0 N--CA 1.498 1.94 0 CA-C-N 115.925 -0.579 . . . . 0.0 111.862 -176.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OG1' ' B' ' 39' ' ' THR . 85.1 m-20 -76.42 -28.93 56.82 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.922 -1.111 . . . . 0.0 110.98 -179.353 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.27 -49.97 73.56 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 120.813 -1.18 . . . . 0.0 110.141 -178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.526 ' N ' HD12 ' B' ' 37' ' ' LEU . 10.9 mp -77.6 -40.65 41.36 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 122.114 0.959 . . . . 0.0 111.822 -179.352 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 38.8 tt0 -67.69 -40.02 84.39 Favored 'General case' 0 C--N 1.3 -1.574 0 CA-C-O 122.179 0.99 . . . . 0.0 110.083 -177.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.43 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 73.9 m -60.53 -49.86 75.86 Favored 'General case' 0 N--CA 1.492 1.632 0 C-N-CA 119.684 -0.806 . . . . 0.0 111.253 -177.044 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -101.55 -21.03 14.83 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.132 -0.98 . . . . 0.0 111.983 -177.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.616 HD13 HD23 ' B' ' 45' ' ' LEU . 88.4 mt -133.76 63.95 1.62 Allowed 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.786 -1.196 . . . . 0.0 110.454 -179.239 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 55.5 p -74.04 -42.4 60.32 Favored 'General case' 0 C--N 1.302 -1.486 0 O-C-N 121.204 -0.935 . . . . 0.0 109.937 179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 60.3 p -71.23 -40.62 70.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.261 -0.899 . . . . 0.0 112.117 -178.269 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.573 ' O ' ' C ' ' B' ' 45' ' ' LEU . 15.5 t80 -89.4 -94.5 0.11 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.796 -1.19 . . . . 0.0 112.232 -178.062 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.616 HD23 HD13 ' B' ' 41' ' ' LEU . 2.5 mm? -29.84 136.17 0.04 OUTLIER 'General case' 0 N--CA 1.52 3.038 0 CA-C-O 116.898 -1.525 . . . . 0.0 107.615 -174.717 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.478 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 2.7 m-20 -91.24 117.68 29.84 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 124.894 3.497 . . . . 0.0 109.661 -179.478 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.47 HG23 ' N ' ' B' ' 48' ' ' GLN . 11.1 m -146.87 -40.69 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.104 -0.997 . . . . 0.0 110.149 179.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.522 ' HB3' ' HZ3' ' B' ' 34' ' ' LYS . 17.2 pt20 -98.46 -40.23 8.37 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.02 -1.05 . . . . 0.0 111.432 -178.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.2 mtmt -62.18 -27.41 68.95 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.279 -0.888 . . . . 0.0 109.197 -179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.547 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 0.9 OUTLIER -139.7 86.79 2.13 Favored 'General case' 0 C--N 1.3 -1.558 0 N-CA-C 108.28 -1.008 . . . . 0.0 108.28 178.478 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -53.51 -29.94 38.96 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 107.348 -1.352 . . . . 0.0 107.348 179.704 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 93.8 m-20 -59.97 -39.85 87.05 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.226 -1.027 . . . . 0.0 108.226 176.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.407 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.86 -42.81 98.6 Favored 'General case' 0 C--N 1.303 -1.419 0 C-N-CA 118.866 -1.134 . . . . 0.0 109.121 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.94 -36.01 64.32 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.54 0 O-C-N 120.761 -1.212 . . . . 0.0 109.384 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 78.0 m-20 -68.84 -40.03 79.64 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.876 -1.14 . . . . 0.0 111.257 -177.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.4 mttp -66.02 -39.99 90.7 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.929 -1.107 . . . . 0.0 110.536 -178.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.405 HG12 HD21 ' Y' ' 8' ' ' ASN . 1.6 mp -70.95 -53.39 21.79 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 121.6 -0.688 . . . . 0.0 111.098 -179.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -35.8 81.48 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.905 -1.122 . . . . 0.0 111.051 -178.182 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -40.67 90.3 Favored 'General case' 0 C--N 1.294 -1.837 0 N-CA-C 107.22 -1.4 . . . . 0.0 107.22 179.611 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 55.4 tp10 -66.58 -24.49 66.35 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 179.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.561 ' O ' ' N ' ' B' ' 63' ' ' GLU . 49.4 mt -87.15 -33.18 19.49 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.291 -0.881 . . . . 0.0 109.36 178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -69.91 57.73 0.15 Allowed 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 106.52 -1.659 . . . . 0.0 106.52 178.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.561 ' N ' ' O ' ' B' ' 61' ' ' LEU . 45.4 mt-10 -59.8 -40.01 86.89 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.765 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.9 t30 -70.29 -24.02 62.96 Favored 'General case' 0 C--N 1.304 -1.387 0 N-CA-C 105.152 -2.166 . . . . 0.0 105.152 177.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.07 40.87 7.32 Favored Glycine 0 N--CA 1.482 1.756 0 N-CA-C 109.97 -1.252 . . . . 0.0 109.97 178.185 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.436 ' CG ' ' N ' ' B' ' 67' ' ' GLY . 33.5 p-10 -99.06 -122.46 0.15 Allowed 'General case' 0 N--CA 1.501 2.093 0 CA-C-N 118.603 1.202 . . . . 0.0 108.21 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 66' ' ' ASP . . . -156.74 21.64 0.46 Allowed Glycine 0 N--CA 1.498 2.82 0 N-CA-C 108.976 -1.65 . . . . 0.0 108.976 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -136.24 176.53 8.61 Favored 'General case' 0 N--CA 1.49 1.571 0 N-CA-C 106.553 -1.647 . . . . 0.0 106.553 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.46 137.85 43.23 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 O-C-N 120.489 -1.382 . . . . 0.0 108.964 -178.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 33.7 t0 -97.86 167.92 10.62 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.392 -0.817 . . . . 0.0 109.68 -179.171 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.614 ' O ' HG23 ' B' ' 75' ' ' VAL . 43.3 t80 -59.97 -35.42 74.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.478 -0.764 . . . . 0.0 109.452 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.524 ' HA ' HG11 ' A' ' 83' ' ' VAL . 62.9 tt0 -70.07 -24.19 63.2 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.941 -1.099 . . . . 0.0 109.854 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.503 ' O ' HD22 ' B' ' 61' ' ' LEU . 49.2 mt-10 -83.68 -53.83 5.36 Favored 'General case' 0 C--N 1.305 -1.344 0 O-C-N 121.503 -0.748 . . . . 0.0 110.396 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -72.56 -32.4 66.01 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.091 -1.005 . . . . 0.0 111.187 -178.198 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.614 HG23 ' O ' ' B' ' 71' ' ' PHE . 54.3 t -59.79 -40.07 81.59 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 121.042 -1.036 . . . . 0.0 108.445 179.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.442 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.0 t -59.8 -39.9 81.11 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.444 0 C-N-CA 119.041 -1.063 . . . . 0.0 108.403 178.437 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.712 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -62.42 -50.11 72.79 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 121.481 -0.762 . . . . 0.0 112.937 -178.457 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -60.0 -33.1 51.81 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.267 0 O-C-N 120.231 -1.543 . . . . 0.0 109.779 -179.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 79' ' ' ALA . . . -69.0 -39.3 79.41 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.719 0.771 . . . . 0.0 110.056 178.01 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.405 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -75.29 -23.83 57.43 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.243 -0.911 . . . . 0.0 112.653 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.595 ' CD2' HD13 ' B' ' 45' ' ' LEU . 1.0 OUTLIER -85.04 -41.19 16.01 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 119.838 -1.789 . . . . 0.0 109.839 -179.718 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.412 HG23 ' N ' ' B' ' 83' ' ' VAL . 1.7 t -52.93 -46.98 68.35 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 120.644 -1.285 . . . . 0.0 109.161 178.111 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.564 HG12 ' CD2' ' A' ' 71' ' ' PHE . 13.4 m -60.05 -40.02 82.01 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.163 -0.96 . . . . 0.0 110.234 177.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.518 ' HB3' ' CZ3' ' Y' ' 7' ' ' TRP . . . -60.28 -25.54 65.8 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 108.922 -179.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -70.37 -38.52 74.76 Favored 'General case' 0 C--N 1.299 -1.606 0 C-N-CA 119.659 -0.817 . . . . 0.0 108.963 179.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.601 ' ND2' ' CE2' ' A' ' 71' ' ' PHE . 66.4 m-20 -59.77 -36.21 76.21 Favored 'General case' 0 N--CA 1.489 1.497 0 N-CA-C 108.474 -0.936 . . . . 0.0 108.474 178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -60.01 -38.88 83.96 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.859 -1.163 . . . . 0.0 107.859 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.1 -1.52 36.3 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.383 -0.823 . . . . 0.0 109.277 179.503 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.509 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 63.8 t80 -79.67 -10.97 59.87 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.946 -1.096 . . . . 0.0 109.125 179.772 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -58.89 -24.62 62.51 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.192 -0.943 . . . . 0.0 108.466 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 74.6 mm-40 -60.03 -38.44 82.72 Favored 'General case' 0 N--CA 1.492 1.635 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' B' ' 93' ' ' SER . 35.8 m120 -78.98 -4.25 49.03 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.433 -0.792 . . . . 0.0 109.467 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.428 ' O ' ' O ' ' B' ' 92' ' ' ASN . 8.7 t . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.322 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 95.3 mtt-85 -138.06 159.08 42.96 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 121.459 -0.776 . . . . 0.0 109.353 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 43.2 p 51.02 44.39 28.6 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.311 -0.868 . . . . 0.0 109.177 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.425 ' H ' ' HG2' ' X' ' 4' ' ' LYS . 38.9 pttt -102.71 1.82 34.94 Favored 'General case' 0 N--CA 1.493 1.722 0 CA-C-O 121.325 0.583 . . . . 0.0 109.483 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.557 ' O ' HG23 ' X' ' 5' ' ' ILE . 14.6 tt -133.11 73.55 0.41 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 CA-C-O 122.027 0.918 . . . . 0.0 108.65 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 32.5 p-10 -90.71 1.03 57.21 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.589 -1.32 . . . . 0.0 108.415 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.673 ' O ' HG22 ' X' ' 10' ' ' ILE . 62.5 t90 -59.93 -50.05 75.27 Favored 'General case' 0 C--N 1.3 -1.563 0 O-C-N 121.574 -0.704 . . . . 0.0 110.357 -179.276 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.43 ' ND2' ' O ' ' X' ' 5' ' ' ILE . 6.6 p30 -51.29 -37.31 46.71 Favored 'General case' 0 C--N 1.299 -1.624 0 O-C-N 120.017 -1.677 . . . . 0.0 108.73 179.858 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.43 ' O ' ' N ' ' X' ' 12' ' ' SER . 50.7 tttp -59.06 -24.2 62.68 Favored 'General case' 0 C--N 1.292 -1.91 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.673 HG22 ' O ' ' X' ' 7' ' ' TRP . 10.0 tt -51.12 -35.52 15.38 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.784 0 N-CA-C 106.462 -1.681 . . . . 0.0 106.462 177.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 21.2 tp -66.96 -40.03 87.4 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.268 -1.012 . . . . 0.0 108.268 178.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.43 ' N ' ' O ' ' X' ' 9' ' ' LYS . 6.4 t . . . . . 0 N--CA 1.494 1.725 0 CA-C-O 118.132 -0.937 . . . . 0.0 109.338 179.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 7.3 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 16.2 ptm180 -80.06 160.01 25.96 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.112 -0.993 . . . . 0.0 110.019 -179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . 0.459 HG22 ' H ' ' Y' ' 3' ' ' THR . 0.5 OUTLIER -80.05 135.74 36.42 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.354 -0.841 . . . . 0.0 109.843 -179.57 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 27.4 pttt -153.2 -20.09 0.15 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.391 -0.818 . . . . 0.0 109.076 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.505 HG23 ' O ' ' Y' ' 5' ' ' ILE . 8.1 tt -137.56 111.46 8.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.847 0 O-C-N 121.582 -0.699 . . . . 0.0 109.449 -179.665 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -129.09 4.14 5.28 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 107.271 -1.381 . . . . 0.0 107.271 178.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.678 ' O ' HG22 ' Y' ' 10' ' ' ILE . 65.9 t90 -59.95 -50.0 75.45 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-N 115.604 -0.726 . . . . 0.0 111.138 -179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -51.1 -38.01 49.25 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 119.917 -1.739 . . . . 0.0 108.647 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 27.1 ttpt -58.19 -23.21 54.71 Favored 'General case' 0 C--N 1.292 -1.933 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 179.219 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.678 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -53.47 -38.79 34.04 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 N-CA-C 106.786 -1.561 . . . . 0.0 106.786 178.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 30.2 tp -62.09 -43.43 98.84 Favored 'General case' 0 N--CA 1.487 1.418 0 N-CA-C 108.061 -1.089 . . . . 0.0 108.061 178.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 1.9 p . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.501 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.555 ' C ' ' H ' ' A' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.815 0 N-CA-C 119.481 2.552 . . . . 0.0 119.481 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -65.05 32.72 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.18 -1.188 . . . . 0.0 110.377 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.555 ' H ' ' C ' ' A' ' 1' ' ' GLY . 81.3 mt-10 -59.93 -43.55 94.88 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 120.963 -1.086 . . . . 0.0 109.927 179.273 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 47.9 tp -59.98 -46.24 90.09 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 120.839 -1.163 . . . . 0.0 108.994 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 27.2 tp10 -61.64 -39.78 92.55 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.161 -0.962 . . . . 0.0 109.921 179.261 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.2 m -54.27 -41.67 69.09 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-O 122.025 0.917 . . . . 0.0 109.386 -179.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.39 -29.97 68.78 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.259 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 46.7 mmm -77.3 -44.33 30.04 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 120.265 -1.522 . . . . 0.0 110.104 -178.143 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -72.31 -29.98 64.35 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.381 -0.824 . . . . 0.0 110.797 -177.609 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.545 ' O ' ' N ' ' A' ' 13' ' ' ASN . 1.5 t -70.29 -54.64 11.81 Favored 'General case' 0 C--N 1.302 -1.5 0 O-C-N 120.753 -1.217 . . . . 0.0 109.604 -179.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -44.37 -39.77 4.89 Favored 'General case' 0 N--CA 1.506 2.371 0 O-C-N 120.312 -1.493 . . . . 0.0 107.754 177.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 69.9 mt -62.65 -38.56 81.9 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.812 0 O-C-N 121.222 -0.924 . . . . 0.0 109.14 177.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.545 ' N ' ' O ' ' A' ' 10' ' ' THR . 28.2 m120 -67.7 -54.13 21.98 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.973 -1.079 . . . . 0.0 112.663 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.617 HG23 ' N ' ' A' ' 15' ' ' PHE . 6.1 m -60.7 -49.6 83.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.776 -1.202 . . . . 0.0 110.611 -178.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.617 ' N ' HG23 ' A' ' 14' ' ' VAL . 16.5 m-85 -60.92 -40.03 91.63 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 121.402 -0.811 . . . . 0.0 110.25 -178.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.4 t-80 -60.01 -39.96 87.62 Favored 'General case' 0 C--N 1.293 -1.874 0 O-C-N 120.397 -1.44 . . . . 0.0 109.823 179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.91 -55.13 37.98 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 113.385 0.883 . . . . 0.0 113.385 -177.503 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.6 m80 -81.52 -41.31 21.87 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 120.812 -1.18 . . . . 0.0 111.668 -178.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.436 ' O ' ' O ' ' A' ' 24' ' ' ASP . 54.0 p -60.05 -29.53 68.6 Favored 'General case' 0 C--N 1.291 -1.953 0 N-CA-C 113.572 0.953 . . . . 0.0 113.572 -178.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.01 9.4 43.23 Favored Glycine 0 N--CA 1.506 3.361 0 O-C-N 120.628 -1.295 . . . . 0.0 111.886 -177.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.523 ' C ' ' H ' ' A' ' 23' ' ' GLY . 96.3 mttt -122.29 -71.5 0.73 Allowed 'General case' 0 N--CA 1.503 2.221 0 CA-C-N 118.799 1.3 . . . . 0.0 109.841 -179.639 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 53.0 tt0 -70.61 34.15 0.04 OUTLIER 'General case' 0 C--N 1.29 -1.989 0 O-C-N 120.855 -1.153 . . . . 0.0 109.536 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.523 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . 168.45 -171.05 42.51 Favored Glycine 0 N--CA 1.488 2.102 0 C-N-CA 119.509 -1.329 . . . . 0.0 110.799 179.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 58.5 t0 -39.76 149.26 0.06 Allowed 'General case' 0 N--CA 1.498 1.95 0 O-C-N 122.21 -0.582 . . . . 0.0 109.873 -179.195 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.532 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 24.1 pttm -59.26 -38.71 80.76 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 113.354 0.872 . . . . 0.0 113.354 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.521 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 77.3 t80 -134.56 34.29 3.22 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.004 -1.685 . . . . 0.0 111.097 -177.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.0 tttt -142.31 147.94 37.19 Favored 'General case' 0 N--CA 1.49 1.565 0 CA-C-O 122.389 1.09 . . . . 0.0 108.819 178.268 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.93 153.82 18.55 Favored 'General case' 0 C--N 1.29 -1.99 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 -179.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.546 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 16.3 t -129.79 161.82 29.85 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 29' ' ' SER . 53.0 tptt -45.19 -35.29 3.17 Favored 'General case' 0 N--CA 1.5 2.056 0 C-N-CA 119.007 -1.077 . . . . 0.0 110.789 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 51.0 tptt -85.1 -28.03 25.87 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.147 -1.595 . . . . 0.0 111.5 -179.133 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HB2' ' H ' ' A' ' 29' ' ' SER . 48.5 mt-10 -71.62 -39.94 70.12 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.251 -1.53 . . . . 0.0 110.401 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.611 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.0 pp -63.37 -45.79 89.52 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.999 -1.063 . . . . 0.0 109.942 179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.611 ' N ' HD12 ' A' ' 33' ' ' LEU . 55.8 tttt -60.43 -40.05 89.68 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 112.868 0.692 . . . . 0.0 112.868 -178.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 59.5 t0 -76.47 -36.8 57.67 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 120.789 -1.195 . . . . 0.0 111.809 -177.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 63.7 tp -59.88 -47.76 84.43 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 120.982 -1.073 . . . . 0.0 111.046 -178.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.654 HD11 ' CZ ' ' A' ' 74' ' ' PHE . 82.0 mt -75.78 -40.63 54.85 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -177.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' A' ' 39' ' ' THR . 4.6 pp0? -66.05 -39.61 90.27 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 122.079 0.943 . . . . 0.0 111.885 -176.712 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 94.3 m -53.45 -44.23 68.71 Favored 'General case' 0 C--N 1.299 -1.628 0 C-N-CA 120.154 -0.618 . . . . 0.0 109.6 -177.065 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.437 ' OE2' ' O ' ' B' ' 1' ' ' GLY . 92.9 mt-10 -102.25 -21.32 14.37 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.391 -0.818 . . . . 0.0 111.079 -178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 44.5 mt -135.07 67.31 1.5 Allowed 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.906 -1.121 . . . . 0.0 109.902 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 85.8 p -79.99 -24.27 40.99 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.182 -0.949 . . . . 0.0 110.025 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 67.4 m -85.05 -28.84 25.4 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.082 -1.011 . . . . 0.0 112.508 -177.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.567 ' O ' ' C ' ' A' ' 45' ' ' LEU . 21.6 t80 -109.92 -110.14 0.33 Allowed 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.806 -1.184 . . . . 0.0 112.615 -177.459 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.567 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.9 OUTLIER -4.16 120.46 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.118 0 CA-C-O 115.374 -2.251 . . . . 0.0 109.973 177.481 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.698 ' O ' HG13 ' A' ' 47' ' ' VAL . 33.9 p-10 -75.67 141.18 42.8 Favored 'General case' 0 N--CA 1.51 2.539 1 CA-C-N 127.94 4.882 . . . . 0.0 112.759 -179.24 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.698 HG13 ' O ' ' A' ' 46' ' ' ASP . 2.6 m -166.85 -53.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.621 -0.674 . . . . 0.0 109.587 176.738 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.477 ' O ' ' C ' ' A' ' 49' ' ' LYS . 96.6 mt-30 -100.37 -71.43 0.7 Allowed 'General case' 0 N--CA 1.502 2.134 0 O-C-N 120.836 -1.165 . . . . 0.0 113.096 -177.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.535 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -31.83 -60.06 0.26 Allowed 'General case' 0 N--CA 1.504 2.25 0 CA-C-O 120.83 0.348 . . . . 0.0 110.114 -177.641 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 66.2 t0 -99.97 94.62 6.38 Favored 'General case' 0 C--N 1.298 -1.634 0 N-CA-C 107.689 -1.226 . . . . 0.0 107.689 177.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.2 81.98 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.293 -0.879 . . . . 0.0 109.468 -178.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -59.38 -37.61 78.4 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.629 -0.878 . . . . 0.0 108.629 178.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.77 -43.69 97.72 Favored 'General case' 0 C--N 1.299 -1.621 0 C-N-CA 119.418 -0.913 . . . . 0.0 111.39 -176.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.11 -34.7 61.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 120.493 -1.38 . . . . 0.0 108.503 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 55' ' ' ASP . 56.0 t0 -60.81 -39.94 90.85 Favored 'General case' 0 C--N 1.292 -1.931 0 C-N-CA 119.205 -0.998 . . . . 0.0 109.537 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.8 mmtt -69.61 -40.09 76.84 Favored 'General case' 0 N--CA 1.501 2.1 0 O-C-N 121.044 -1.035 . . . . 0.0 110.93 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.03 -55.72 13.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 121.218 -0.927 . . . . 0.0 110.571 -179.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.05 -36.77 78.03 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.485 -0.759 . . . . 0.0 109.463 -179.684 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 ttpt -60.06 -46.1 90.65 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.061 -1.088 . . . . 0.0 108.061 179.165 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -60.02 -23.11 63.43 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.455 -0.942 . . . . 0.0 108.455 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 63' ' ' GLU . 47.1 mt -92.55 -26.74 17.77 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.61 -0.681 . . . . 0.0 110.325 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 70.2 m-20 -74.92 49.98 0.44 Allowed 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 106.929 -1.508 . . . . 0.0 106.929 178.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 61' ' ' LEU . 41.1 mt-10 -60.06 -40.77 90.62 Favored 'General case' 0 C--N 1.303 -1.434 0 CA-C-N 115.063 -0.971 . . . . 0.0 109.429 -178.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 -74.52 -23.31 58.8 Favored 'General case' 0 C--N 1.298 -1.637 0 N-CA-C 106.712 -1.588 . . . . 0.0 106.712 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.79 40.45 14.73 Favored Glycine 0 N--CA 1.486 2.033 0 N-CA-C 107.886 -2.085 . . . . 0.0 107.886 -179.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.9 p-10 -98.73 -7.96 26.84 Favored 'General case' 0 N--CA 1.512 2.626 0 O-C-N 121.495 -1.003 . . . . 0.0 111.924 -177.325 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.12 7.42 88.47 Favored Glycine 0 N--CA 1.5 2.955 0 O-C-N 120.883 -1.136 . . . . 0.0 110.473 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 58.3 mt-10 -133.55 176.26 8.7 Favored 'General case' 0 N--CA 1.493 1.693 0 N-CA-C 106.615 -1.624 . . . . 0.0 106.615 179.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.13 135.04 44.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.489 -1.382 . . . . 0.0 108.591 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.1 m-20 -95.97 167.22 11.37 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.15 -0.969 . . . . 0.0 109.029 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.599 ' O ' HG23 ' A' ' 75' ' ' VAL . 39.2 t80 -59.99 -31.28 69.76 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.439 -0.788 . . . . 0.0 109.292 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.565 ' HA ' HG11 ' B' ' 83' ' ' VAL . 63.5 tt0 -72.48 -25.21 61.34 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 120.862 -1.149 . . . . 0.0 110.312 179.267 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.4 ' O ' HD22 ' A' ' 61' ' ' LEU . 76.2 mt-10 -81.04 -52.35 7.5 Favored 'General case' 0 C--N 1.303 -1.427 0 O-C-N 121.425 -0.797 . . . . 0.0 110.205 -179.098 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.654 ' CZ ' HD11 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -75.07 -32.38 61.47 Favored 'General case' 0 C--N 1.305 -1.35 0 C-N-CA 119.002 -1.079 . . . . 0.0 111.714 -178.111 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.736 HG12 ' HB1' ' B' ' 79' ' ' ALA . 43.6 t -57.96 -39.63 72.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.939 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 179.629 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 72' ' ' GLN . 67.2 t -59.98 -40.01 81.85 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.28 -0.887 . . . . 0.0 109.119 177.489 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.696 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.2 tm? -62.51 -54.12 44.69 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 121.269 -0.895 . . . . 0.0 112.495 -178.266 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 4.5 m -51.42 -34.17 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.111 0 O-C-N 120.299 -1.501 . . . . 0.0 108.993 -179.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.719 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -65.36 -39.12 91.92 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-O 121.722 0.772 . . . . 0.0 109.433 178.382 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.73 -30.52 51.69 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 114.516 1.302 . . . . 0.0 114.516 -176.612 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.547 HD12 HD11 ' A' ' 77' ' ' LEU . 55.2 mt -78.28 -43.04 29.17 Favored 'General case' 0 N--CA 1.51 2.526 0 O-C-N 119.244 -2.16 . . . . 0.0 110.625 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.563 HG23 ' N ' ' A' ' 83' ' ' VAL . 6.9 t -58.46 -43.27 88.82 Favored 'General case' 0 N--CA 1.502 2.141 0 O-C-N 121.055 -1.028 . . . . 0.0 110.99 179.216 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.563 ' N ' HG23 ' A' ' 82' ' ' THR . 11.5 m -59.7 -40.1 81.46 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.065 -1.022 . . . . 0.0 109.1 178.728 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.405 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -62.61 -25.7 68.23 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 179.768 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.91 -42.94 47.46 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.387 -0.821 . . . . 0.0 110.632 -179.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.9 t-20 -59.96 -46.74 88.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.141 -0.974 . . . . 0.0 110.096 -179.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.12 -0.988 . . . . 0.0 109.754 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.527 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 67.2 t80 -86.43 -2.64 58.61 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.387 -0.821 . . . . 0.0 109.791 -179.08 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -85.24 -29.49 24.6 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.243 -0.911 . . . . 0.0 109.674 179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 95.6 m95 -88.38 -10.06 50.59 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.283 -0.886 . . . . 0.0 110.485 -178.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.2 -39.96 94.5 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 120.871 -1.143 . . . . 0.0 109.641 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -91.03 -1.62 57.78 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.061 -1.025 . . . . 0.0 109.428 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.5 m . . . . . 0 N--CA 1.49 1.568 0 CA-C-O 117.932 -1.032 . . . . 0.0 109.494 179.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.556 ' C ' ' H ' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.501 2.56 . . . . 0.0 119.501 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.4 p -65.19 32.67 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.304 -1.115 . . . . 0.0 110.363 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.556 ' H ' ' C ' ' B' ' 1' ' ' GLY . 81.7 mt-10 -60.04 -43.34 95.41 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.009 -1.057 . . . . 0.0 109.95 179.363 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 46.6 tp -60.08 -46.34 89.9 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.919 -1.113 . . . . 0.0 108.933 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 26.8 tp10 -61.55 -39.86 92.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.113 -0.992 . . . . 0.0 109.959 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.6 m -54.22 -41.66 68.93 Favored 'General case' 0 C--N 1.299 -1.595 0 CA-C-O 122.097 0.951 . . . . 0.0 109.361 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.44 -29.6 68.28 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 112.887 0.699 . . . . 0.0 112.887 -178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 47.5 mmm -77.67 -44.11 29.13 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 120.253 -1.529 . . . . 0.0 110.13 -178.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.55 -29.95 64.01 Favored 'General case' 0 C--N 1.3 -1.581 0 O-C-N 121.346 -0.846 . . . . 0.0 110.665 -177.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.549 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.5 t -70.17 -54.7 11.73 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.812 -1.18 . . . . 0.0 109.643 -179.023 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.2 mp -44.43 -39.66 4.9 Favored 'General case' 0 N--CA 1.508 2.452 0 O-C-N 120.529 -1.357 . . . . 0.0 107.692 177.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.7 mt -62.81 -38.34 81.53 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 121.245 -0.91 . . . . 0.0 109.124 177.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.549 ' N ' ' O ' ' B' ' 10' ' ' THR . 28.1 m120 -67.82 -54.1 21.7 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.039 -1.038 . . . . 0.0 112.678 179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.616 HG23 ' N ' ' B' ' 15' ' ' PHE . 6.9 m -60.66 -49.55 84.02 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 O-C-N 120.788 -1.195 . . . . 0.0 110.656 -178.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.616 ' N ' HG23 ' B' ' 14' ' ' VAL . 16.8 m-85 -60.91 -40.07 91.75 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.497 -0.752 . . . . 0.0 110.314 -178.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -59.98 -40.01 87.63 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.382 -1.448 . . . . 0.0 109.845 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.01 -55.05 38.75 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -177.463 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 73.7 m80 -81.46 -41.37 21.89 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.859 -1.151 . . . . 0.0 111.612 -178.222 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 54.0 p -60.04 -29.62 68.64 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.561 0.949 . . . . 0.0 113.561 -178.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.08 9.58 43.11 Favored Glycine 0 N--CA 1.505 3.242 0 O-C-N 120.516 -1.365 . . . . 0.0 111.878 -177.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.527 ' C ' ' H ' ' B' ' 23' ' ' GLY . 96.2 mttt -122.42 -71.57 0.72 Allowed 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 118.761 1.28 . . . . 0.0 109.804 -179.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 50.0 tt0 -70.49 34.05 0.04 OUTLIER 'General case' 0 C--N 1.291 -1.96 0 O-C-N 120.799 -1.188 . . . . 0.0 109.638 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.527 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . 168.64 -170.91 42.54 Favored Glycine 0 N--CA 1.488 2.107 0 C-N-CA 119.575 -1.298 . . . . 0.0 110.781 179.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 58.0 t0 -39.78 149.41 0.06 Allowed 'General case' 0 N--CA 1.496 1.871 0 O-C-N 122.156 -0.614 . . . . 0.0 109.808 -179.199 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.524 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 24.7 pttm -59.46 -38.81 81.74 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 113.375 0.88 . . . . 0.0 113.375 -176.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.518 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 76.5 t80 -134.18 34.06 3.33 Favored 'General case' 0 N--CA 1.508 2.443 0 O-C-N 120.026 -1.671 . . . . 0.0 111.13 -177.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.5 tttt -142.31 147.75 36.88 Favored 'General case' 0 N--CA 1.49 1.546 0 CA-C-O 122.366 1.079 . . . . 0.0 108.868 178.416 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 5.1 tp -92.94 153.84 18.53 Favored 'General case' 0 C--N 1.289 -2.056 0 N-CA-C 108.121 -1.066 . . . . 0.0 108.121 -178.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.565 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 21.1 t -129.95 161.87 29.91 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.9 tptt -45.1 -35.34 3.04 Favored 'General case' 0 N--CA 1.5 2.049 0 C-N-CA 118.942 -1.103 . . . . 0.0 110.929 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 50.9 tptt -85.1 -27.97 25.91 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.099 -1.626 . . . . 0.0 111.374 -179.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.565 ' HB2' ' H ' ' B' ' 29' ' ' SER . 48.9 mt-10 -71.6 -39.95 70.15 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.166 -1.584 . . . . 0.0 110.377 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.595 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.9 pp -63.43 -45.72 89.63 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.934 -1.104 . . . . 0.0 109.979 179.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.595 ' N ' HD12 ' B' ' 33' ' ' LEU . 55.2 tttt -60.46 -39.96 89.47 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 112.782 0.66 . . . . 0.0 112.782 -178.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 59.5 t0 -76.66 -36.72 57.17 Favored 'General case' 0 N--CA 1.505 2.288 0 O-C-N 120.855 -1.153 . . . . 0.0 111.821 -178.008 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 64.2 tp -60.05 -47.63 85.08 Favored 'General case' 0 C--N 1.287 -2.109 0 O-C-N 120.849 -1.157 . . . . 0.0 111.013 -177.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.645 HD11 ' CZ ' ' B' ' 74' ' ' PHE . 80.5 mt -75.85 -40.69 54.25 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 114.487 1.292 . . . . 0.0 114.487 -177.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.466 ' CD ' ' N ' ' B' ' 39' ' ' THR . 4.6 pp0? -65.9 -39.64 90.8 Favored 'General case' 0 N--CA 1.492 1.674 0 CA-C-O 122.103 0.954 . . . . 0.0 111.846 -176.67 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.466 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.5 m -53.6 -44.22 69.23 Favored 'General case' 0 C--N 1.298 -1.657 0 C-N-CA 120.135 -0.626 . . . . 0.0 109.507 -176.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.432 ' OE2' ' O ' ' A' ' 1' ' ' GLY . 93.0 mt-10 -102.15 -21.36 14.42 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.389 -0.819 . . . . 0.0 111.051 -178.298 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 46.5 mt -135.02 67.1 1.51 Allowed 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.929 -1.107 . . . . 0.0 109.925 -179.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 84.4 p -79.95 -24.25 41.11 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.268 -0.895 . . . . 0.0 110.095 179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 71.1 m -85.21 -28.86 25.14 Favored 'General case' 0 N--CA 1.495 1.825 0 O-C-N 120.982 -1.074 . . . . 0.0 112.471 -177.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.576 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.6 t80 -109.91 -95.91 0.41 Allowed 'General case' 0 N--CA 1.508 2.458 0 N-CA-C 114.195 1.183 . . . . 0.0 114.195 -176.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.542 HD23 HD13 ' B' ' 37' ' ' LEU . 0.9 OUTLIER -28.9 128.74 0.08 Allowed 'General case' 0 N--CA 1.513 2.711 0 CA-C-O 117.123 -1.417 . . . . 0.0 109.317 -174.534 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.676 ' O ' HG13 ' B' ' 47' ' ' VAL . 33.7 p-10 -76.04 139.59 41.51 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 124.965 3.53 . . . . 0.0 112.444 -177.666 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.676 HG13 ' O ' ' B' ' 46' ' ' ASP . 2.4 m -166.23 -52.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 177.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.479 ' O ' ' C ' ' B' ' 49' ' ' LYS . 96.6 mt-30 -100.33 -71.64 0.7 Allowed 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -177.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.52 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -31.75 -60.24 0.25 Allowed 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -177.645 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 66.0 t0 -99.76 94.62 6.43 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.651 -1.241 . . . . 0.0 107.651 177.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.03 -38.37 82.51 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.229 -0.919 . . . . 0.0 109.442 -178.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 70.5 m-20 -59.43 -37.63 78.58 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.06 -45.36 93.13 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.455 -0.898 . . . . 0.0 111.129 -177.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.09 -34.79 57.99 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.525 -1.359 . . . . 0.0 108.575 -179.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' B' ' 55' ' ' ASP . 56.5 t0 -60.74 -39.89 90.37 Favored 'General case' 0 C--N 1.292 -1.915 0 O-C-N 121.036 -1.04 . . . . 0.0 109.644 -179.229 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 70.1 mmtt -69.45 -40.13 77.34 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.072 -1.018 . . . . 0.0 110.975 -178.507 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.0 -55.71 13.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.979 0 O-C-N 121.255 -0.903 . . . . 0.0 110.648 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.446 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.97 -36.8 77.9 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.458 -0.776 . . . . 0.0 109.49 -179.724 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.6 ttpt -59.99 -46.62 88.86 Favored 'General case' 0 N--CA 1.496 1.871 0 N-CA-C 108.024 -1.102 . . . . 0.0 108.024 179.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 95.8 mt-10 -59.99 -21.43 61.26 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 108.654 -0.869 . . . . 0.0 108.654 179.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' B' ' 63' ' ' GLU . 49.1 mt -94.36 -26.57 16.49 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.71 -0.619 . . . . 0.0 110.252 179.791 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.446 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 71.1 m-20 -75.09 49.92 0.46 Allowed 'General case' 0 C--N 1.3 -1.549 0 N-CA-C 106.848 -1.538 . . . . 0.0 106.848 178.625 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' LEU . 41.2 mt-10 -60.05 -40.84 90.82 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-N 115.016 -0.993 . . . . 0.0 109.428 -178.659 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -74.47 -23.37 58.88 Favored 'General case' 0 C--N 1.298 -1.639 0 N-CA-C 106.705 -1.591 . . . . 0.0 106.705 177.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.85 40.48 14.49 Favored Glycine 0 N--CA 1.486 1.985 0 N-CA-C 107.918 -2.073 . . . . 0.0 107.918 -179.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 41.8 p-10 -98.76 -8.08 26.56 Favored 'General case' 0 N--CA 1.511 2.596 0 O-C-N 121.497 -1.002 . . . . 0.0 111.917 -177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 78.91 8.11 88.0 Favored Glycine 0 N--CA 1.502 3.042 0 O-C-N 121.008 -1.058 . . . . 0.0 110.507 -179.662 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -134.11 176.27 8.73 Favored 'General case' 0 N--CA 1.492 1.655 0 N-CA-C 106.434 -1.691 . . . . 0.0 106.434 179.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 2.6 t -138.18 135.14 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.51 -1.369 . . . . 0.0 108.546 -178.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -95.89 167.2 11.39 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.203 -0.936 . . . . 0.0 109.073 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.596 ' O ' HG23 ' B' ' 75' ' ' VAL . 39.2 t80 -59.98 -31.18 69.66 Favored 'General case' 0 C--N 1.302 -1.487 0 O-C-N 121.404 -0.81 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.561 ' HA ' HG11 ' A' ' 83' ' ' VAL . 63.6 tt0 -72.7 -25.1 61.11 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.873 -1.142 . . . . 0.0 110.276 179.385 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.416 ' O ' HD22 ' B' ' 61' ' ' LEU . 76.5 mt-10 -81.24 -52.28 7.5 Favored 'General case' 0 C--N 1.305 -1.341 0 O-C-N 121.373 -0.829 . . . . 0.0 110.157 -179.107 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.645 ' CZ ' HD11 ' B' ' 37' ' ' LEU . 0.9 OUTLIER -75.04 -32.33 61.53 Favored 'General case' 0 C--N 1.304 -1.4 0 C-N-CA 118.99 -1.084 . . . . 0.0 111.701 -178.164 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.719 HG12 ' HB1' ' A' ' 79' ' ' ALA . 41.9 t -57.95 -39.59 72.53 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 N-CA-C 107.517 -1.29 . . . . 0.0 107.517 179.781 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.455 HG23 ' O ' ' B' ' 72' ' ' GLN . 69.8 t -60.04 -39.96 81.83 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 C-N-CA 119.563 -0.855 . . . . 0.0 109.136 177.443 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.691 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.2 tm? -62.63 -54.08 44.91 Favored 'General case' 0 N--CA 1.511 2.6 0 O-C-N 121.318 -0.863 . . . . 0.0 112.43 -178.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 4.2 m -51.36 -34.08 14.78 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.116 0 O-C-N 120.271 -1.518 . . . . 0.0 109.032 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.736 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -65.36 -39.55 92.46 Favored 'General case' 0 C--N 1.29 -1.998 0 CA-C-O 121.632 0.729 . . . . 0.0 109.356 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -77.33 -30.64 54.09 Favored 'General case' 0 N--CA 1.49 1.565 0 N-CA-C 114.464 1.283 . . . . 0.0 114.464 -176.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.556 HD12 HD11 ' B' ' 77' ' ' LEU . 55.4 mt -78.3 -42.95 29.27 Favored 'General case' 0 N--CA 1.509 2.487 0 O-C-N 119.237 -2.164 . . . . 0.0 110.689 -178.54 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.567 HG23 ' N ' ' B' ' 83' ' ' VAL . 6.6 t -58.62 -43.3 89.6 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.993 -1.067 . . . . 0.0 110.961 179.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.567 ' N ' HG23 ' B' ' 82' ' ' THR . 10.7 m -59.59 -39.97 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.565 0 O-C-N 121.086 -1.009 . . . . 0.0 109.204 178.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.418 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -62.92 -25.59 68.4 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.4 t -75.85 -42.8 48.44 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.433 -0.792 . . . . 0.0 110.646 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 31.5 t-20 -60.05 -46.76 88.46 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.175 -0.953 . . . . 0.0 110.059 -179.163 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 49.2 t-20 -60.01 -39.99 87.74 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.515 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 67.1 t80 -86.45 -2.73 58.7 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.41 -0.806 . . . . 0.0 109.84 -179.103 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -85.16 -29.46 24.75 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.195 -0.941 . . . . 0.0 109.719 179.694 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 95.4 m95 -88.39 -10.08 50.5 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.259 -0.9 . . . . 0.0 110.516 -178.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -62.22 -39.99 94.65 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.01 -1.056 . . . . 0.0 109.701 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 12.9 t-20 -90.98 -1.65 57.8 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.036 -1.04 . . . . 0.0 109.387 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 118.023 -0.989 . . . . 0.0 109.496 -179.983 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . 0.541 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 3.0 t . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.136 -0.691 . . . . 0.0 109.136 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.541 ' N ' ' OG1' ' X' ' 1' ' ' THR . 88.4 mtm-85 -61.72 -39.91 93.19 Favored 'General case' 0 C--N 1.304 -1.401 0 O-C-N 121.224 -0.923 . . . . 0.0 110.068 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 70.3 p -148.89 89.85 1.71 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.104 -0.997 . . . . 0.0 108.952 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.493 ' H ' ' HD3' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -60.28 -40.1 89.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.171 -0.955 . . . . 0.0 109.565 -179.198 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 2.0 tt -159.89 115.93 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 120.924 -1.11 . . . . 0.0 110.232 179.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.4 p-10 -129.36 5.84 5.25 Favored 'General case' 0 N--CA 1.498 1.941 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 178.635 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.702 ' O ' HG22 ' X' ' 10' ' ' ILE . 77.0 t90 -60.1 -49.24 78.43 Favored 'General case' 0 C--N 1.299 -1.624 0 CA-C-N 115.469 -0.787 . . . . 0.0 111.128 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' X' ' 7' ' ' TRP . 49.5 t30 -50.02 -35.46 24.84 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 119.877 -1.765 . . . . 0.0 108.748 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.419 ' O ' ' N ' ' X' ' 12' ' ' SER . 7.7 ttmm -59.36 -24.18 63.16 Favored 'General case' 0 C--N 1.294 -1.822 0 N-CA-C 107.081 -1.451 . . . . 0.0 107.081 179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.702 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.8 tt -51.35 -37.66 18.86 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 N-CA-C 106.714 -1.587 . . . . 0.0 106.714 178.029 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 86.1 mt -63.49 -39.36 94.25 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.203 -1.036 . . . . 0.0 108.203 178.441 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.419 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.4 p . . . . . 0 N--CA 1.495 1.786 0 CA-C-O 118.026 -0.988 . . . . 0.0 109.544 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 90.5 m . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.28 0.562 . . . . 0.0 109.644 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.405 ' O ' ' O ' ' Y' ' 3' ' ' THR . 48.0 mmm-85 -99.94 118.47 36.43 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.321 -0.862 . . . . 0.0 109.394 -179.208 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . 0.405 ' O ' ' O ' ' Y' ' 2' ' ' ARG . 70.8 p 40.42 92.39 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.549 -0.719 . . . . 0.0 110.632 179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 40.9 mtmt -78.44 146.32 34.57 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 121.32 -0.863 . . . . 0.0 109.666 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.428 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.1 pt -120.38 124.25 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-O 121.506 0.67 . . . . 0.0 109.747 -178.295 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -105.72 11.22 32.36 Favored 'General case' 0 N--CA 1.502 2.138 0 CA-C-O 122.527 1.156 . . . . 0.0 108.427 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.645 ' O ' HG22 ' Y' ' 10' ' ' ILE . 76.5 t90 -59.93 -48.74 80.47 Favored 'General case' 0 C--N 1.292 -1.892 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.408 -179.351 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.407 HD22 ' HA ' ' Y' ' 8' ' ' ASN . 1.5 t-20 -51.29 -30.95 19.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.242 -1.536 . . . . 0.0 108.94 -179.433 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.523 ' O ' ' N ' ' Y' ' 12' ' ' SER . 7.2 ttpm? -59.42 -27.04 65.67 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 105.926 -1.879 . . . . 0.0 105.926 179.072 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.645 HG22 ' O ' ' Y' ' 7' ' ' TRP . 11.5 tt -51.32 -34.23 14.8 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 N-CA-C 106.309 -1.737 . . . . 0.0 106.309 176.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.545 HD13 ' O ' ' Y' ' 11' ' ' LEU . 0.3 OUTLIER -60.0 -40.07 87.96 Favored 'General case' 0 N--CA 1.486 1.328 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 178.499 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . 0.523 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 5.7 t . . . . . 0 N--CA 1.496 1.858 0 CA-C-O 117.997 -1.002 . . . . 0.0 109.62 179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.955 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.6 p -80.06 163.46 24.16 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.084 -1.245 . . . . 0.0 108.663 179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.507 ' H ' ' CD ' ' A' ' 3' ' ' GLU . 42.7 mp0 -56.38 -50.02 72.77 Favored 'General case' 0 C--N 1.304 -1.381 0 O-C-N 120.992 -1.067 . . . . 0.0 110.002 -177.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 6.0 mt -61.55 -40.29 94.16 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.045 -1.035 . . . . 0.0 109.036 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -66.37 -35.1 79.47 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.078 -1.014 . . . . 0.0 109.724 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.9 m -59.88 -44.35 94.24 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.396 -0.815 . . . . 0.0 110.025 -179.493 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -70.62 -29.69 66.14 Favored 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 112.652 0.612 . . . . 0.0 112.652 -177.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -69.98 -48.81 56.72 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.374 -1.454 . . . . 0.0 110.221 -178.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -69.9 -31.21 68.88 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.687 -0.633 . . . . 0.0 110.553 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.476 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -67.42 -56.68 8.65 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.777 -1.202 . . . . 0.0 110.063 -179.454 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.476 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.2 mp -46.97 -39.3 12.19 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.277 -1.515 . . . . 0.0 108.59 179.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 83.6 mt -67.1 -38.21 80.76 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 121.516 -0.74 . . . . 0.0 110.88 -179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 53.1 t30 -78.51 -43.64 26.4 Favored 'General case' 0 N--CA 1.506 2.336 0 O-C-N 119.967 -1.708 . . . . 0.0 112.587 -177.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.565 HG23 ' N ' ' A' ' 15' ' ' PHE . 10.7 m -60.03 -42.92 91.39 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 120.497 -1.377 . . . . 0.0 109.486 -179.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.565 ' N ' HG23 ' A' ' 14' ' ' VAL . 6.2 t80 -63.76 -39.94 95.5 Favored 'General case' 0 C--N 1.296 -1.751 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.889 -179.549 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.06 -39.27 85.44 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 120.596 -1.315 . . . . 0.0 109.16 178.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.81 17.4 Favored 'General case' 0 N--CA 1.5 2.026 0 N-CA-C 113.236 0.828 . . . . 0.0 113.236 -178.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 60.9 m80 -75.2 -46.39 34.3 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.906 -1.121 . . . . 0.0 111.702 -178.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.451 ' O ' ' O ' ' A' ' 24' ' ' ASP . 47.2 t -54.05 -27.98 35.79 Favored 'General case' 0 C--N 1.291 -1.939 0 N-CA-C 113.194 0.812 . . . . 0.0 113.194 -177.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.0 10.57 40.52 Favored Glycine 0 N--CA 1.505 3.253 0 O-C-N 120.857 -1.152 . . . . 0.0 110.561 -178.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.46 ' O ' ' N ' ' A' ' 23' ' ' GLY . 19.8 ttmm -125.07 -78.24 0.6 Allowed 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -1.123 . . . . 0.0 109.604 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -70.37 43.36 0.06 Allowed 'General case' 0 C--N 1.296 -1.735 0 O-C-N 120.647 -1.283 . . . . 0.0 109.879 -178.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . 177.79 -144.5 6.6 Favored Glycine 0 N--CA 1.489 2.168 0 C-N-CA 119.304 -1.427 . . . . 0.0 110.795 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' O ' ' O ' ' A' ' 19' ' ' SER . 96.1 m-20 -83.69 169.01 15.73 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.641 -0.917 . . . . 0.0 109.015 179.639 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 27.0 tptp -56.89 -48.97 76.94 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.228 -0.92 . . . . 0.0 111.983 -177.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.482 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 37.5 t80 -133.39 36.02 3.41 Favored 'General case' 0 N--CA 1.509 2.484 0 O-C-N 120.62 -1.3 . . . . 0.0 111.614 -178.448 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 27.7 tptt -135.66 142.49 45.16 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 108.113 -1.069 . . . . 0.0 108.113 178.015 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.404 HD13 ' CE2' ' A' ' 15' ' ' PHE . 7.4 tp -94.58 100.26 12.26 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 -178.666 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.568 ' O ' ' N ' ' A' ' 32' ' ' GLU . 43.3 t -69.85 157.91 36.5 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.744 -1.222 . . . . 0.0 110.014 179.489 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.88 -36.73 1.6 Allowed 'General case' 0 N--CA 1.501 2.118 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 179.716 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 21.9 pttm -78.4 -23.48 46.74 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.633 -1.292 . . . . 0.0 109.03 179.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 29' ' ' SER . 7.5 mm-40 -73.37 -42.44 62.19 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.003 -1.061 . . . . 0.0 110.615 179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.4 pp -60.59 -43.07 97.79 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 120.582 -1.324 . . . . 0.0 108.296 179.36 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.458 ' N ' HD12 ' A' ' 33' ' ' LEU . 71.8 tttt -63.64 -40.15 96.15 Favored 'General case' 0 N--CA 1.492 1.657 0 CA-C-N 115.447 -0.797 . . . . 0.0 112.435 -177.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -72.63 -40.54 66.35 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.05 -1.031 . . . . 0.0 111.058 -178.376 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.423 HD23 ' CE2' ' A' ' 74' ' ' PHE . 57.0 tp -62.93 -41.97 99.65 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 121.517 -0.739 . . . . 0.0 110.528 -178.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD21 ' CE2' ' A' ' 74' ' ' PHE . 92.3 mt -78.04 -43.03 30.49 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.44 -0.787 . . . . 0.0 113.042 -178.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.49 ' C ' ' H ' ' A' ' 40' ' ' GLU . 9.1 pt20 -69.63 -40.14 76.72 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.287 -0.883 . . . . 0.0 111.741 -177.025 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.599 HG22 ' O ' ' A' ' 39' ' ' THR . 28.9 m -60.76 11.08 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.753 -0.592 . . . . 0.0 111.811 -176.719 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.49 ' H ' ' C ' ' A' ' 38' ' ' GLN . 82.6 mt-10 -156.83 -47.34 0.07 Allowed 'General case' 0 N--CA 1.497 1.922 0 O-C-N 120.664 -1.273 . . . . 0.0 110.371 179.715 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.462 HD13 HD13 ' A' ' 45' ' ' LEU . 24.6 mt -105.03 43.31 1.12 Allowed 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.552 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 85.3 p -60.11 -47.34 86.29 Favored 'General case' 0 N--CA 1.49 1.53 0 CA-C-O 121.481 0.657 . . . . 0.0 110.697 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 70.8 m -67.58 -39.87 84.84 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.335 -0.853 . . . . 0.0 111.455 -178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.583 ' O ' ' C ' ' A' ' 45' ' ' LEU . 12.6 t80 -89.25 -102.36 0.09 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 120.88 -1.137 . . . . 0.0 112.564 -178.14 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.583 ' C ' ' O ' ' A' ' 44' ' ' PHE . 4.1 mp -12.19 133.86 0.0 OUTLIER 'General case' 0 N--CA 1.523 3.217 0 CA-C-O 115.377 -2.249 . . . . 0.0 109.312 178.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 55.0 t0 -88.89 112.54 23.4 Favored 'General case' 0 N--CA 1.522 3.139 1 CA-C-N 127.137 4.517 . . . . 0.0 110.435 177.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 87.7 t -135.8 -84.49 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.117 0 O-C-N 121.359 -0.838 . . . . 0.0 109.841 178.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 64.1 mm-40 -61.93 -40.11 94.36 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-O 121.363 0.601 . . . . 0.0 111.635 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.552 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 12.3 mtmm -60.56 -28.84 68.76 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 107.862 -1.162 . . . . 0.0 107.862 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 45.9 t0 -141.22 93.02 2.53 Favored 'General case' 0 C--N 1.299 -1.608 0 N-CA-C 108.25 -1.019 . . . . 0.0 108.25 178.474 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -31.22 68.95 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.269 -1.012 . . . . 0.0 108.269 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -59.93 -39.06 84.21 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.165 -1.05 . . . . 0.0 108.165 177.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.96 -41.13 91.24 Favored 'General case' 0 C--N 1.301 -1.54 0 C-N-CA 119.18 -1.008 . . . . 0.0 110.167 -177.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.93 -34.22 58.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.481 -1.387 . . . . 0.0 109.198 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.68 -40.1 94.81 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.269 -0.894 . . . . 0.0 110.892 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.79 -40.36 76.06 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.07 -1.019 . . . . 0.0 111.06 -178.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -64.78 -53.79 37.73 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.334 -0.854 . . . . 0.0 109.532 179.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.8 ttt -60.06 -34.97 74.16 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.334 -0.854 . . . . 0.0 110.43 -179.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.01 -43.32 95.31 Favored 'General case' 0 C--N 1.292 -1.896 0 N-CA-C 107.434 -1.321 . . . . 0.0 107.434 179.764 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -63.94 -27.08 68.89 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 121.395 -0.815 . . . . 0.0 108.967 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.562 ' O ' ' N ' ' A' ' 63' ' ' GLU . 46.9 mt -88.47 -29.68 19.97 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.15 -0.969 . . . . 0.0 110.106 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -68.86 49.01 0.07 Allowed 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.562 ' N ' ' O ' ' A' ' 61' ' ' LEU . 90.3 mt-10 -60.23 -39.6 87.25 Favored 'General case' 0 N--CA 1.485 1.309 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -178.514 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -70.12 -20.58 63.17 Favored 'General case' 0 N--CA 1.483 1.194 0 N-CA-C 105.758 -1.941 . . . . 0.0 105.758 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.19 33.24 32.95 Favored Glycine 0 N--CA 1.48 1.585 0 N-CA-C 109.309 -1.516 . . . . 0.0 109.309 178.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.452 ' CG ' ' N ' ' A' ' 67' ' ' GLY . 29.1 p-10 -92.08 -126.15 0.09 Allowed 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 107.088 -1.449 . . . . 0.0 107.088 179.518 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.452 ' N ' ' CG ' ' A' ' 66' ' ' ASP . . . -149.35 16.7 1.14 Allowed Glycine 0 N--CA 1.492 2.398 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 178.732 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -138.87 175.83 9.22 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.654 -1.497 . . . . 0.0 108.347 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -123.93 134.39 66.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.173 -0.954 . . . . 0.0 109.003 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.559 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 57.3 t0 -98.26 167.2 11.01 Favored 'General case' 0 N--CA 1.49 1.553 0 CA-C-O 121.822 0.82 . . . . 0.0 109.36 179.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.559 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 21.9 t80 -59.96 -34.75 73.69 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.6 -0.688 . . . . 0.0 109.702 -179.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 76' ' ' VAL . 19.5 pt20 -69.46 -23.03 63.6 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.621 -1.299 . . . . 0.0 108.873 178.575 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 83.5 mt-10 -85.86 -50.33 7.2 Favored 'General case' 0 C--N 1.309 -1.185 0 CA-C-O 121.755 0.788 . . . . 0.0 110.022 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.466 ' CE2' HD21 ' A' ' 37' ' ' LEU . 62.3 t80 -60.53 -45.16 94.88 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.648 -0.657 . . . . 0.0 111.404 -179.404 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.709 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.0 t -60.64 -40.03 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.751 0 O-C-N 121.033 -1.042 . . . . 0.0 109.393 -179.051 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 72' ' ' GLN . 49.1 t -59.41 -39.91 80.31 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.448 0 O-C-N 120.806 -1.184 . . . . 0.0 109.419 178.595 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.705 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.3 tm? -66.57 -54.7 20.78 Favored 'General case' 0 N--CA 1.511 2.609 0 O-C-N 121.077 -1.014 . . . . 0.0 112.657 -178.244 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.435 ' O ' HG22 ' A' ' 82' ' ' THR . 21.4 m -55.12 -31.05 25.13 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.173 0 O-C-N 120.364 -1.46 . . . . 0.0 109.258 -179.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -71.74 -37.38 70.57 Favored 'General case' 0 C--N 1.289 -2.031 0 CA-C-O 121.566 0.698 . . . . 0.0 109.712 178.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.6 -26.79 45.49 Favored 'General case' 0 N--CA 1.49 1.539 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 -176.336 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.057 HD13 ' H ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -80.85 -39.6 26.24 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 119.412 -2.055 . . . . 0.0 108.99 179.616 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 1.057 ' H ' HD13 ' A' ' 81' ' ' LEU . 3.0 t -59.66 -43.92 93.75 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 120.844 -1.16 . . . . 0.0 110.966 179.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.485 HG23 ' N ' ' A' ' 84' ' ' ALA . 17.9 m -59.99 -44.62 95.08 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.94 0 O-C-N 120.766 -1.209 . . . . 0.0 110.017 177.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.485 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -63.04 -26.71 68.97 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.666 -0.865 . . . . 0.0 108.666 -179.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.522 ' SG ' ' CE1' ' A' ' 89' ' ' PHE . 24.7 t -70.38 -38.66 74.74 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.5 t-20 -60.45 -40.56 91.59 Favored 'General case' 0 N--CA 1.487 1.399 0 O-C-N 121.409 -0.807 . . . . 0.0 109.083 179.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -60.31 -40.07 89.25 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.355 -0.841 . . . . 0.0 110.19 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 58.9 t80 -79.08 -4.58 50.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.292 -0.88 . . . . 0.0 109.766 -179.046 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.522 ' CE1' ' SG ' ' A' ' 85' ' ' CYS . 2.9 m-85 -90.68 -1.15 57.88 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.228 -0.92 . . . . 0.0 109.434 179.589 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 33.1 t90 -60.03 -40.31 88.88 Favored 'General case' 0 C--N 1.304 -1.406 0 O-C-N 120.692 -1.255 . . . . 0.0 108.215 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -64.92 -40.2 94.68 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.736 -0.603 . . . . 0.0 109.803 179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.429 ' OD1' ' O ' ' A' ' 89' ' ' PHE . 50.9 p30 -93.47 0.79 56.88 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 120.986 -1.072 . . . . 0.0 109.85 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.467 ' N ' ' O ' ' A' ' 89' ' ' PHE . 63.2 m . . . . . 0 N--CA 1.492 1.639 0 CA-C-O 118.001 -0.999 . . . . 0.0 109.502 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.893 0 N-CA-C 119.337 2.495 . . . . 0.0 119.337 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p -80.06 162.87 24.58 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.157 -1.202 . . . . 0.0 108.716 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.519 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 44.2 mp0 -56.19 -50.33 71.53 Favored 'General case' 0 N--CA 1.487 1.425 0 O-C-N 120.892 -1.13 . . . . 0.0 109.944 -177.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 5.6 mt -61.27 -39.95 92.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 120.944 -1.097 . . . . 0.0 108.983 179.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -66.12 -35.88 81.67 Favored 'General case' 0 C--N 1.303 -1.432 0 O-C-N 121.081 -1.012 . . . . 0.0 109.555 -179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.86 -44.0 94.38 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 121.342 -0.849 . . . . 0.0 110.408 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.426 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -70.15 -30.47 67.63 Favored 'General case' 0 N--CA 1.489 1.491 0 N-CA-C 112.701 0.63 . . . . 0.0 112.701 -178.471 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 16.2 ttt -70.18 -48.4 57.39 Favored 'General case' 0 C--N 1.294 -1.834 0 O-C-N 120.398 -1.439 . . . . 0.0 110.24 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -69.98 -31.08 68.6 Favored 'General case' 0 C--N 1.29 -1.996 0 O-C-N 121.699 -0.626 . . . . 0.0 110.532 -177.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.485 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -67.68 -56.93 7.4 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.052 -179.494 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.4 mp -46.7 -38.77 10.36 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.457 -1.402 . . . . 0.0 108.707 179.232 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 88.2 mt -67.5 -38.29 80.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.863 0 O-C-N 121.416 -0.802 . . . . 0.0 111.134 -179.634 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 56.8 t30 -78.09 -44.33 26.52 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 120.158 -1.589 . . . . 0.0 112.38 -177.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.573 HG23 ' N ' ' B' ' 15' ' ' PHE . 10.6 m -59.91 -42.93 90.97 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.682 0 O-C-N 120.521 -1.362 . . . . 0.0 109.452 -178.863 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.573 ' N ' HG23 ' B' ' 14' ' ' VAL . 6.2 t80 -63.54 -40.12 96.17 Favored 'General case' 0 C--N 1.299 -1.626 0 CA-C-N 116.123 -0.489 . . . . 0.0 109.977 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.04 -39.38 85.71 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 120.6 -1.312 . . . . 0.0 109.173 178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.1 -56.71 18.66 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.445 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 62.3 m80 -75.12 -46.73 32.55 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.727 -1.233 . . . . 0.0 111.573 -178.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.8 t -53.5 -28.05 28.84 Favored 'General case' 0 C--N 1.293 -1.889 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.29 10.36 39.46 Favored Glycine 0 N--CA 1.506 3.332 0 O-C-N 120.764 -1.21 . . . . 0.0 110.599 -178.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' B' ' 23' ' ' GLY . 19.6 ttmm -124.9 -78.35 0.6 Allowed 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.306 -1.114 . . . . 0.0 109.354 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.401 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 95.5 mt-10 -70.07 43.06 0.06 Allowed 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.693 -1.254 . . . . 0.0 110.358 -179.194 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . 177.87 -144.41 6.54 Favored Glycine 0 N--CA 1.493 2.469 0 C-N-CA 119.252 -1.451 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -83.67 169.58 15.16 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.572 -0.958 . . . . 0.0 108.947 179.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 26.9 tptp -56.96 -49.17 76.52 Favored 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.244 -0.91 . . . . 0.0 111.972 -177.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.484 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 37.5 t80 -133.27 35.53 3.46 Favored 'General case' 0 N--CA 1.509 2.49 0 O-C-N 120.516 -1.365 . . . . 0.0 111.62 -178.278 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 26.6 tptt -135.44 142.42 45.58 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 108.094 -1.076 . . . . 0.0 108.094 178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.425 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.8 tp -94.09 99.64 11.9 Favored 'General case' 0 C--N 1.297 -1.711 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 -178.561 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.558 ' O ' ' N ' ' B' ' 32' ' ' GLU . 33.7 t -70.03 158.22 36.08 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.492 -1.38 . . . . 0.0 110.016 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -42.89 -37.05 1.7 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.374 -0.829 . . . . 0.0 110.012 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.2 pttm -77.98 -23.27 48.45 Favored 'General case' 0 C--N 1.292 -1.907 0 O-C-N 120.583 -1.323 . . . . 0.0 108.936 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' B' ' 29' ' ' SER . 7.3 mm-40 -73.55 -42.27 61.89 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.022 -1.049 . . . . 0.0 110.644 179.659 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -61.13 -42.07 97.87 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.365 -1.459 . . . . 0.0 108.413 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 70.5 tttt -64.31 -40.08 95.19 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-N 115.695 -0.684 . . . . 0.0 112.105 -177.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 82.7 m-20 -72.23 -40.36 67.82 Favored 'General case' 0 N--CA 1.5 2.074 0 O-C-N 121.209 -0.932 . . . . 0.0 111.17 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.418 HD23 ' CE2' ' B' ' 74' ' ' PHE . 57.3 tp -63.39 -41.77 98.79 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 121.583 -0.698 . . . . 0.0 110.605 -178.136 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.459 HD21 ' CE2' ' B' ' 74' ' ' PHE . 92.6 mt -78.19 -43.26 29.06 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.999 0.74 . . . . 0.0 112.999 -178.154 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.474 ' C ' ' H ' ' B' ' 40' ' ' GLU . 10.8 pt20 -69.68 -40.02 76.62 Favored 'General case' 0 N--CA 1.498 1.961 0 CA-C-O 121.987 0.898 . . . . 0.0 111.558 -176.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.613 HG22 ' O ' ' B' ' 39' ' ' THR . 31.8 m -60.7 10.76 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.722 -0.611 . . . . 0.0 111.987 -176.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.474 ' H ' ' C ' ' B' ' 38' ' ' GLN . 82.8 mt-10 -156.61 -47.27 0.07 Allowed 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.679 -1.263 . . . . 0.0 110.144 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.44 HD13 HD13 ' B' ' 45' ' ' LEU . 24.5 mt -105.2 43.47 1.11 Allowed 'General case' 0 N--CA 1.498 1.956 0 N-CA-C 108.665 -0.865 . . . . 0.0 108.665 -179.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.522 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 96.6 p -60.14 -46.44 89.63 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-O 121.48 0.657 . . . . 0.0 110.606 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.5 m -68.4 -39.99 81.48 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.337 -0.852 . . . . 0.0 111.418 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.54 ' O ' ' C ' ' B' ' 45' ' ' LEU . 14.4 t80 -90.15 -87.98 0.18 Allowed 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.964 -1.085 . . . . 0.0 113.831 -177.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.54 ' C ' ' O ' ' B' ' 44' ' ' PHE . 3.5 mp -35.53 141.0 0.09 Allowed 'General case' 0 N--CA 1.514 2.771 0 CA-C-O 117.211 -1.376 . . . . 0.0 107.945 -174.15 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.428 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.7 t0 -88.59 110.88 21.27 Favored 'General case' 0 N--CA 1.51 2.537 0 CA-C-N 124.471 3.305 . . . . 0.0 110.02 -179.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 75.0 t -135.48 -83.43 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.809 0 CA-C-O 121.739 0.78 . . . . 0.0 109.891 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 64.9 mm-40 -62.26 -40.56 96.62 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.587 -0.696 . . . . 0.0 111.638 -178.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.522 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.2 mtmm -60.36 -28.56 68.28 Favored 'General case' 0 C--N 1.293 -1.86 0 N-CA-C 107.99 -1.115 . . . . 0.0 107.99 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 45.8 t0 -141.63 93.13 2.53 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 108.254 -1.017 . . . . 0.0 108.254 178.429 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.47 -30.88 68.84 Favored 'General case' 0 N--CA 1.492 1.664 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 -179.572 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -60.0 -39.1 84.62 Favored 'General case' 0 C--N 1.298 -1.642 0 N-CA-C 108.11 -1.07 . . . . 0.0 108.11 177.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.83 -42.25 93.14 Favored 'General case' 0 C--N 1.3 -1.582 0 C-N-CA 119.02 -1.072 . . . . 0.0 110.039 -177.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.03 -34.38 56.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.576 0 O-C-N 120.247 -1.533 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -64.63 -40.27 95.18 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.247 -0.908 . . . . 0.0 110.822 -177.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -69.78 -40.0 76.31 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.133 -0.979 . . . . 0.0 111.051 -179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.4 mp -64.8 -53.55 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.907 0 O-C-N 121.189 -0.944 . . . . 0.0 109.409 179.464 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.9 ttt -60.12 -35.39 75.15 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.358 -0.839 . . . . 0.0 110.455 -179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.07 -42.94 95.65 Favored 'General case' 0 C--N 1.293 -1.866 0 N-CA-C 107.509 -1.293 . . . . 0.0 107.509 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.95 -24.29 67.48 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.27 -0.894 . . . . 0.0 109.398 179.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.569 ' O ' ' N ' ' B' ' 63' ' ' GLU . 44.3 mt -91.34 -28.79 17.5 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.264 -0.897 . . . . 0.0 109.792 179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -69.4 48.83 0.08 Allowed 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 178.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.569 ' N ' ' O ' ' B' ' 61' ' ' LEU . 87.8 mt-10 -59.94 -39.63 86.2 Favored 'General case' 0 C--N 1.306 -1.315 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -178.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -70.12 -20.21 63.19 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 106.007 -1.849 . . . . 0.0 106.007 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.09 33.12 33.67 Favored Glycine 0 N--CA 1.478 1.496 0 N-CA-C 109.522 -1.431 . . . . 0.0 109.522 178.411 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.441 ' CG ' ' N ' ' B' ' 67' ' ' GLY . 29.1 p-10 -92.61 -126.59 0.09 Allowed 'General case' 0 N--CA 1.492 1.65 0 N-CA-C 107.278 -1.379 . . . . 0.0 107.278 179.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.441 ' N ' ' CG ' ' B' ' 66' ' ' ASP . . . -148.42 15.64 1.27 Allowed Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.282 -1.527 . . . . 0.0 109.282 179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -138.68 176.47 8.67 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.716 -1.461 . . . . 0.0 108.529 179.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.2 t -124.35 134.8 65.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.254 -0.903 . . . . 0.0 109.03 -178.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.554 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 57.0 t0 -98.59 167.39 10.83 Favored 'General case' 0 C--N 1.299 -1.602 0 CA-C-O 121.692 0.758 . . . . 0.0 109.623 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.554 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 20.7 t80 -59.8 -35.44 74.68 Favored 'General case' 0 C--N 1.299 -1.596 0 O-C-N 121.5 -0.75 . . . . 0.0 109.743 -179.006 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 19.8 pt20 -68.98 -22.75 64.08 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.595 -1.315 . . . . 0.0 108.853 178.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 82.5 mt-10 -86.11 -50.12 7.25 Favored 'General case' 0 C--N 1.306 -1.309 0 CA-C-O 121.7 0.762 . . . . 0.0 110.097 179.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.459 ' CE2' HD21 ' B' ' 37' ' ' LEU . 65.1 t80 -60.42 -45.81 92.27 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.633 . . . . 0.0 111.482 -179.616 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.709 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.1 t -60.22 -40.1 82.66 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 O-C-N 120.981 -1.074 . . . . 0.0 109.616 -179.073 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 47.0 t -59.36 -39.86 80.06 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.469 0 O-C-N 121.023 -1.048 . . . . 0.0 109.526 178.64 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.683 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.4 tm? -66.84 -54.43 22.53 Favored 'General case' 0 N--CA 1.51 2.525 0 O-C-N 121.137 -0.977 . . . . 0.0 112.599 -178.192 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.422 ' O ' HG22 ' B' ' 82' ' ' THR . 27.4 m -55.28 -30.92 25.75 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.284 -1.51 . . . . 0.0 109.435 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.709 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -72.27 -36.46 69.02 Favored 'General case' 0 C--N 1.288 -2.106 0 CA-C-O 121.667 0.746 . . . . 0.0 109.67 178.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -78.79 -27.39 44.52 Favored 'General case' 0 N--CA 1.49 1.561 0 N-CA-C 114.041 1.126 . . . . 0.0 114.041 -176.636 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 1.028 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -80.7 -39.25 27.44 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.404 -2.06 . . . . 0.0 109.254 179.707 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 1.028 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.2 t -59.92 -43.39 94.93 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 120.955 -1.091 . . . . 0.0 110.859 179.668 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.48 HG23 ' N ' ' B' ' 84' ' ' ALA . 17.8 m -60.28 -45.05 96.81 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.966 -1.084 . . . . 0.0 110.037 177.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.48 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -62.85 -26.71 68.9 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 108.622 -0.881 . . . . 0.0 108.622 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.534 ' SG ' ' CE1' ' B' ' 89' ' ' PHE . 25.6 t -70.17 -38.73 75.5 Favored 'General case' 0 C--N 1.301 -1.513 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -60.52 -40.45 91.5 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.446 -0.784 . . . . 0.0 109.075 179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 11.3 t-20 -60.3 -40.26 89.91 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.511 -0.743 . . . . 0.0 110.071 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.524 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 62.9 t80 -79.03 -4.58 50.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.334 -0.854 . . . . 0.0 109.881 -179.04 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.534 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 3.0 m-85 -90.64 -1.05 57.88 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.418 -0.801 . . . . 0.0 109.48 179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 32.2 t90 -60.11 -40.88 91.23 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.833 -1.167 . . . . 0.0 108.164 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -64.74 -39.93 94.46 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.635 -0.666 . . . . 0.0 109.801 179.682 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.442 ' OD1' ' O ' ' B' ' 89' ' ' PHE . 50.3 p30 -93.56 0.86 56.79 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.011 -1.056 . . . . 0.0 109.897 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.472 ' N ' ' O ' ' B' ' 89' ' ' PHE . 63.5 m . . . . . 0 N--CA 1.493 1.711 0 CA-C-O 118.163 -0.923 . . . . 0.0 109.279 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . 0.454 ' O ' ' O ' ' X' ' 2' ' ' ARG . 7.1 t . . . . . 0 N--CA 1.489 1.518 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.454 ' O ' ' O ' ' X' ' 1' ' ' THR 1.217 28.3 ttt-85 85.85 111.49 0.05 OUTLIER 'General case' 2 N--CA 1.655 9.779 2 C-N-CA 102.789 -7.564 . . . . 0.0 113.527 -179.379 . . . . . . . . 5 3 . 1 . 009 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 16.8 m 53.11 66.47 1.22 Allowed 'General case' 0 N--CA 1.493 1.7 1 CA-C-N 131.582 6.537 . . . . 0.0 110.003 165.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.61 ' CD ' ' H ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -84.06 -26.14 29.29 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.481 -0.762 . . . . 0.0 109.272 -179.745 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 0.3 OUTLIER -150.72 -73.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.863 0 N-CA-C 108.22 -1.03 . . . . 0.0 108.22 179.619 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.403 ' H ' HG23 ' X' ' 5' ' ' ILE . 94.5 m-20 41.75 19.19 0.01 OUTLIER 'General case' 0 N--CA 1.5 2.032 0 O-C-N 121.166 -0.959 . . . . 0.0 110.469 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.556 ' N ' ' O ' ' X' ' 5' ' ' ILE . 30.8 t90 -64.71 -50.06 68.41 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.231 -0.918 . . . . 0.0 110.727 -179.642 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.479 ' CG ' HD11 ' A' ' 57' ' ' ILE . 20.8 t-20 -50.88 -32.68 21.21 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.49 -1.381 . . . . 0.0 108.669 -179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -60.05 -28.39 67.73 Favored 'General case' 0 C--N 1.303 -1.433 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 178.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.55 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.1 tt -51.27 -39.87 21.92 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.723 0 N-CA-C 107.189 -1.411 . . . . 0.0 107.189 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.42 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 64.0 tp -60.59 -42.68 97.23 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 178.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 30.1 p . . . . . 0 N--CA 1.5 2.036 0 CA-C-O 117.991 -1.004 . . . . 0.0 109.356 179.848 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 50.2 m . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -70.08 -30.01 67.13 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.132 -0.98 . . . . 0.0 109.62 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -107.93 117.49 34.27 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.713 0.768 . . . . 0.0 109.725 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.456 ' C ' HG23 ' Y' ' 5' ' ' ILE . 92.9 mttt -105.26 140.28 38.63 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 179.117 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.533 ' CG1' ' O ' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER 50.61 96.46 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 CA-C-O 122.503 1.144 . . . . 0.0 108.389 -179.443 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 36.1 p-10 -100.12 18.09 19.51 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.399 -1.438 . . . . 0.0 108.806 -179.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.608 ' O ' HG22 ' Y' ' 10' ' ' ILE . 33.4 t90 -59.97 -50.03 75.34 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.71 -0.619 . . . . 0.0 111.906 -178.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.539 ' CG ' HD11 ' B' ' 57' ' ' ILE . 40.3 t-20 -51.55 -37.23 48.6 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 119.932 -1.73 . . . . 0.0 108.777 -179.263 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 36.6 ttpt -60.38 -25.4 65.85 Favored 'General case' 0 C--N 1.299 -1.587 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 178.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.608 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.7 tt -51.32 -39.92 22.35 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.72 0 N-CA-C 107.578 -1.267 . . . . 0.0 107.578 179.366 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.417 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 57.2 tp -66.11 -42.16 89.62 Favored 'General case' 0 N--CA 1.49 1.539 0 C-N-CA 119.461 -0.896 . . . . 0.0 108.629 178.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 30.7 t . . . . . 0 N--CA 1.494 1.754 0 CA-C-O 118.134 -0.936 . . . . 0.0 109.27 179.983 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.932 0 N-CA-C 119.268 2.467 . . . . 0.0 119.268 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.411 ' OG ' ' OE1' ' A' ' 5' ' ' GLU . 50.7 m -80.0 156.42 27.18 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.22 -1.165 . . . . 0.0 109.433 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.412 ' CG ' ' N ' ' A' ' 4' ' ' LEU . 14.5 pt-20 -44.53 -52.71 7.74 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.374 -0.829 . . . . 0.0 110.525 -178.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.412 ' N ' ' CG ' ' A' ' 3' ' ' GLU . 7.3 mt -70.61 -39.97 73.44 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.007 -1.058 . . . . 0.0 110.095 179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' OE1' ' OG ' ' A' ' 2' ' ' SER . 44.8 mt-10 -63.67 -30.69 71.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.09 -1.006 . . . . 0.0 109.228 -179.814 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.1 m -60.05 -45.68 92.04 Favored 'General case' 0 C--N 1.3 -1.571 0 CA-C-O 121.975 0.893 . . . . 0.0 109.665 -179.746 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.05 -29.63 67.81 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-N 116.013 -0.539 . . . . 0.0 112.418 -178.073 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.8 ttt -71.65 -48.66 46.29 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 120.427 -1.42 . . . . 0.0 110.322 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -69.96 -34.71 73.76 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.63 -0.669 . . . . 0.0 111.228 -176.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.534 HG23 ' N ' ' A' ' 11' ' ' LEU . 4.1 t -66.55 -55.59 14.76 Favored 'General case' 0 C--N 1.304 -1.411 0 C-N-CA 118.592 -1.243 . . . . 0.0 109.914 -178.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.534 ' N ' HG23 ' A' ' 10' ' ' THR . 6.9 mp -48.66 -41.82 32.63 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 120.397 -1.44 . . . . 0.0 109.036 179.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 78.1 mt -63.85 -39.95 87.28 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.82 0 O-C-N 121.223 -0.923 . . . . 0.0 111.786 -179.442 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -77.42 -45.07 26.98 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 119.867 -1.77 . . . . 0.0 112.572 -178.556 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.494 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.5 p -60.02 -43.54 92.79 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 120.617 -1.302 . . . . 0.0 110.004 -178.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.661 ' CE2' HD13 ' A' ' 28' ' ' LEU . 5.4 t80 -59.99 -39.97 87.58 Favored 'General case' 0 C--N 1.297 -1.696 0 N-CA-C 108.83 -0.804 . . . . 0.0 108.83 179.378 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.568 -1.333 . . . . 0.0 110.284 178.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -51.94 -56.94 11.06 Favored 'General case' 0 N--CA 1.501 2.089 0 N-CA-C 113.443 0.905 . . . . 0.0 113.443 -177.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 60.7 m80 -83.27 -39.69 20.52 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.05 -1.031 . . . . 0.0 111.418 -178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 14.9 m -61.6 -33.48 73.97 Favored 'General case' 0 C--N 1.296 -1.737 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 -178.439 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.41 12.64 61.62 Favored Glycine 0 N--CA 1.501 2.968 0 O-C-N 120.646 -1.284 . . . . 0.0 111.29 -177.357 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -121.37 -62.41 1.43 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.521 -0.988 . . . . 0.0 109.161 -179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 71.9 mt-10 -91.74 17.22 9.28 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.935 -1.103 . . . . 0.0 111.177 -178.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.522 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -167.76 -157.05 10.53 Favored Glycine 0 N--CA 1.497 2.738 0 C-N-CA 118.459 -1.829 . . . . 0.0 112.424 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -69.06 143.6 54.21 Favored 'General case' 0 N--CA 1.494 1.764 0 CA-C-O 121.768 0.795 . . . . 0.0 110.924 -178.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -50.47 -60.04 3.41 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.681 -0.637 . . . . 0.0 112.286 -178.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.7 p90 -105.42 14.9 28.05 Favored 'General case' 0 N--CA 1.504 2.273 0 O-C-N 120.973 -1.079 . . . . 0.0 112.591 -177.181 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 66.0 tttt -137.16 144.59 43.02 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.683 -1.261 . . . . 0.0 109.197 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.661 HD13 ' CE2' ' A' ' 15' ' ' PHE . 2.4 tp -92.69 170.31 9.82 Favored 'General case' 0 N--CA 1.495 1.786 0 CA-C-O 121.873 0.844 . . . . 0.0 109.99 -177.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.523 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.7 m -131.26 160.81 33.81 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 178.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 29' ' ' SER . 6.4 tptp -44.23 -39.84 4.72 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.801 -1.187 . . . . 0.0 111.355 178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.0 tttp -78.79 -33.29 46.44 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.037 -1.665 . . . . 0.0 110.891 -178.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.523 ' HB2' ' H ' ' A' ' 29' ' ' SER . 85.9 mt-10 -71.65 -39.96 70.01 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.208 -1.558 . . . . 0.0 111.204 -179.399 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.684 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.5 pp -59.29 -45.66 90.66 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.483 -1.386 . . . . 0.0 108.806 179.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.684 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.0 tttt -60.01 -39.92 87.47 Favored 'General case' 0 C--N 1.3 -1.56 0 C-N-CA 119.295 -0.962 . . . . 0.0 109.426 -178.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.1 m-20 -59.98 -41.53 92.18 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.033 -1.042 . . . . 0.0 111.195 -179.374 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.458 HD13 ' HA ' ' A' ' 36' ' ' LEU . 3.2 mm? -61.58 -36.14 79.82 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.948 -1.095 . . . . 0.0 110.341 -179.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.464 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 5.8 mp -75.25 -52.09 11.72 Favored 'General case' 0 C--N 1.296 -1.758 0 O-C-N 120.795 -1.191 . . . . 0.0 111.434 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.444 ' OE1' ' NE2' ' A' ' 48' ' ' GLN . 12.9 pt20 -77.48 -18.72 56.86 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.12 -0.987 . . . . 0.0 113.586 -177.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.406 HG23 ' N ' ' A' ' 40' ' ' GLU . 1.3 t -54.57 -47.2 73.55 Favored 'General case' 0 C--N 1.292 -1.909 0 C-N-CA 117.345 -1.742 . . . . 0.0 108.927 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.441 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 75.5 mm-40 -114.77 -38.34 3.98 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.341 -0.849 . . . . 0.0 111.459 -178.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.502 HD13 HD13 ' A' ' 45' ' ' LEU . 48.7 mt -93.5 40.36 1.07 Allowed 'General case' 0 N--CA 1.502 2.143 0 O-C-N 120.944 -1.098 . . . . 0.0 109.506 -178.773 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 9.6 t -60.0 -50.06 75.24 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-O 121.594 0.712 . . . . 0.0 110.546 179.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 42.8 t -81.02 -23.57 38.53 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.565 -0.709 . . . . 0.0 111.772 -178.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.629 ' O ' ' O ' ' A' ' 45' ' ' LEU . 3.5 t80 -84.81 -102.61 0.05 Allowed 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.341 -1.475 . . . . 0.0 110.579 -177.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.629 ' O ' ' O ' ' A' ' 44' ' ' PHE . 1.4 mp -13.61 150.11 0.0 OUTLIER 'General case' 0 N--CA 1.517 2.908 0 CA-C-O 117.446 -1.264 . . . . 0.0 110.715 174.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.9 t0 -95.14 102.16 13.95 Favored 'General case' 0 N--CA 1.513 2.7 0 CA-C-N 124.126 3.148 . . . . 0.0 109.601 173.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -146.1 -56.01 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.509 2.515 0 O-C-N 120.164 -1.585 . . . . 0.0 109.013 178.174 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.474 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 75.7 mm-40 -70.05 -40.47 75.09 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.958 -1.089 . . . . 0.0 109.97 179.725 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 45.4 mtmt -70.62 -25.11 62.88 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 178.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -135.11 88.42 2.42 Favored 'General case' 0 N--CA 1.489 1.521 0 N-CA-C 108.217 -1.031 . . . . 0.0 108.217 177.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.96 -32.32 65.9 Favored 'General case' 0 N--CA 1.488 1.438 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -59.97 -38.44 82.53 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 107.615 -1.254 . . . . 0.0 107.615 177.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.531 ' O ' HD13 ' A' ' 57' ' ' ILE . . . -55.53 -37.58 68.13 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 118.575 -1.25 . . . . 0.0 109.142 -177.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.23 -39.96 84.34 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.195 -1.566 . . . . 0.0 108.186 178.238 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.43 -41.53 98.78 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.974 -1.079 . . . . 0.0 111.98 -178.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -66.83 -39.98 87.82 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.401 -1.437 . . . . 0.0 109.895 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.531 HD13 ' O ' ' A' ' 53' ' ' ALA . 1.4 mp -70.0 -53.06 25.49 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.422 0.63 . . . . 0.0 111.313 -178.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.41 ' O ' ' N ' ' A' ' 62' ' ' ASP . 25.1 ttt -60.14 -39.96 88.17 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.061 -1.024 . . . . 0.0 111.515 -178.21 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.461 ' NZ ' ' OD2' ' A' ' 62' ' ' ASP . 8.6 mmpt? -60.91 -41.05 95.36 Favored 'General case' 0 C--N 1.291 -1.956 0 N-CA-C 107.039 -1.467 . . . . 0.0 107.039 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -59.98 -24.93 64.83 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 177.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.527 ' C ' ' H ' ' A' ' 63' ' ' GLU . 25.3 mt -92.27 -25.21 18.71 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.456 -0.777 . . . . 0.0 110.819 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.461 ' OD2' ' NZ ' ' A' ' 59' ' ' LYS . 86.9 m-20 -72.63 44.83 0.13 Allowed 'General case' 0 C--N 1.303 -1.445 0 O-C-N 120.53 -1.356 . . . . 0.0 107.813 -179.589 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.527 ' H ' ' C ' ' A' ' 61' ' ' LEU . 97.5 mt-10 -59.93 -40.07 87.66 Favored 'General case' 0 C--N 1.304 -1.37 0 C-N-CA 119.896 -0.722 . . . . 0.0 109.12 -178.685 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.533 HD21 ' CG ' ' A' ' 66' ' ' ASP . 52.3 p30 -77.27 -12.38 59.94 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.356 -1.35 . . . . 0.0 107.356 178.547 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 70.89 32.41 66.46 Favored Glycine 0 N--CA 1.489 2.212 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.533 ' CG ' HD21 ' A' ' 64' ' ' ASN . 48.4 p-10 -93.82 -6.58 45.55 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.194 -1.18 . . . . 0.0 111.563 -177.857 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.44 14.95 69.96 Favored Glycine 0 N--CA 1.501 2.993 0 N-CA-C 109.185 -1.566 . . . . 0.0 109.185 -179.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -136.42 171.9 13.8 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 4.7 t -124.21 126.43 72.17 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.485 0 O-C-N 120.523 -1.36 . . . . 0.0 110.398 -179.675 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.528 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.5 t0 -93.09 150.49 20.48 Favored 'General case' 0 N--CA 1.494 1.744 0 N-CA-C 107.464 -1.31 . . . . 0.0 107.464 178.282 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -43.25 -39.76 3.14 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.346 -0.846 . . . . 0.0 110.192 -177.523 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 56.4 tt0 -61.93 -35.01 77.13 Favored 'General case' 0 C--N 1.293 -1.86 0 O-C-N 120.317 -1.49 . . . . 0.0 109.365 179.151 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.454 ' O ' HG12 ' A' ' 76' ' ' VAL . 53.9 mt-10 -76.55 -43.63 38.26 Favored 'General case' 0 C--N 1.303 -1.432 0 CA-C-O 121.971 0.891 . . . . 0.0 111.02 -178.083 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 3.2 t80 -69.76 -45.53 67.87 Favored 'General case' 0 C--N 1.301 -1.537 0 O-C-N 121.353 -0.842 . . . . 0.0 111.439 -177.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.667 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -63.36 -30.69 50.41 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.828 0 O-C-N 121.424 -0.798 . . . . 0.0 110.566 -178.254 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -64.17 -33.61 63.56 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 179.378 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.714 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.3 tm? -70.24 -55.5 9.11 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.803 -0.561 . . . . 0.0 111.855 -177.76 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 78' ' ' VAL . 1.3 t -60.03 -44.74 95.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.121 0 CA-C-O 122.148 0.975 . . . . 0.0 109.028 -178.149 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.643 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -59.96 -40.51 89.3 Favored 'General case' 0 C--N 1.286 -2.174 0 CA-C-N 115.347 -0.842 . . . . 0.0 110.729 179.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.8 -24.87 59.88 Favored 'General case' 0 C--N 1.295 -1.771 0 N-CA-C 113.318 0.859 . . . . 0.0 113.318 -176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 2.0 mp -83.22 -49.11 9.77 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 119.846 -1.784 . . . . 0.0 109.706 -179.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.436 HG23 ' N ' ' A' ' 83' ' ' VAL . 2.0 t -48.16 -47.04 35.28 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.036 -1.04 . . . . 0.0 110.045 179.397 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.453 HG23 ' N ' ' A' ' 84' ' ' ALA . 16.8 m -60.08 -41.67 87.24 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.893 0 O-C-N 120.976 -1.077 . . . . 0.0 109.762 177.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.453 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -59.97 -27.3 66.72 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.441 -0.787 . . . . 0.0 109.091 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -70.24 -40.97 74.13 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.295 -0.878 . . . . 0.0 109.638 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.06 -40.27 88.89 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.296 -0.878 . . . . 0.0 109.544 179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.4 m-20 -60.33 -40.02 89.14 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.299 -0.875 . . . . 0.0 110.423 -179.523 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -82.01 -7.96 59.64 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.118 -0.989 . . . . 0.0 109.514 -179.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 60.2 t80 -80.2 -20.04 45.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.1 -1.0 . . . . 0.0 108.686 178.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.403 ' O ' ' CG ' ' A' ' 90' ' ' TRP . 77.7 t90 -77.54 -6.63 54.3 Favored 'General case' 0 C--N 1.304 -1.392 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.513 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -65.62 147.95 52.55 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.646 -0.872 . . . . 0.0 108.646 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 55.0 31.53 16.27 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.649 -0.657 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.493 1.687 0 CA-C-O 118.018 -0.991 . . . . 0.0 109.57 -179.434 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.426 2.531 . . . . 0.0 119.426 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.441 ' OG ' ' OE1' ' A' ' 40' ' ' GLU . 50.6 m -79.82 156.28 27.46 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.208 -1.172 . . . . 0.0 109.51 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.413 ' CG ' ' N ' ' B' ' 4' ' ' LEU . 14.9 pt-20 -44.41 -52.6 7.63 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.245 -0.91 . . . . 0.0 110.605 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.413 ' N ' ' CG ' ' B' ' 3' ' ' GLU . 7.1 mt -70.74 -40.02 72.99 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 120.928 -1.108 . . . . 0.0 110.117 179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.42 ' OE1' ' OG ' ' B' ' 2' ' ' SER . 44.3 mt-10 -63.55 -30.85 71.91 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 120.981 -1.075 . . . . 0.0 109.199 -179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 94.4 m -60.01 -45.52 92.49 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.968 0.889 . . . . 0.0 109.736 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.5 -29.44 67.07 Favored 'General case' 0 N--CA 1.49 1.534 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -71.89 -48.29 46.73 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.412 -1.43 . . . . 0.0 110.21 -178.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -70.03 -34.55 73.4 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.617 -0.677 . . . . 0.0 111.294 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.531 HG23 ' N ' ' B' ' 11' ' ' LEU . 4.1 t -66.74 -55.56 14.45 Favored 'General case' 0 C--N 1.303 -1.415 0 C-N-CA 118.65 -1.22 . . . . 0.0 109.771 -178.548 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.531 ' N ' HG23 ' B' ' 10' ' ' THR . 6.8 mp -48.78 -41.76 33.54 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.492 -1.38 . . . . 0.0 108.999 179.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 77.6 mt -63.92 -39.9 87.09 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.804 0 O-C-N 121.132 -0.98 . . . . 0.0 111.806 -179.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -77.58 -44.83 27.12 Favored 'General case' 0 N--CA 1.504 2.252 0 O-C-N 119.987 -1.696 . . . . 0.0 112.536 -178.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.495 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -60.12 -43.47 93.02 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.552 -1.343 . . . . 0.0 109.997 -178.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.636 ' CE2' HD13 ' B' ' 28' ' ' LEU . 5.7 t80 -60.02 -39.98 87.74 Favored 'General case' 0 C--N 1.297 -1.695 0 N-CA-C 108.966 -0.753 . . . . 0.0 108.966 179.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -60.12 -39.97 88.09 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 120.632 -1.293 . . . . 0.0 110.241 178.03 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -52.01 -57.04 10.68 Favored 'General case' 0 N--CA 1.502 2.134 0 N-CA-C 113.387 0.884 . . . . 0.0 113.387 -177.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 59.9 m80 -83.09 -40.02 20.39 Favored 'General case' 0 N--CA 1.5 2.054 0 O-C-N 121.185 -0.947 . . . . 0.0 111.456 -178.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 15.3 m -61.13 -33.72 73.85 Favored 'General case' 0 C--N 1.296 -1.728 0 N-CA-C 113.338 0.866 . . . . 0.0 113.338 -178.646 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.61 12.59 61.29 Favored Glycine 0 N--CA 1.501 3.025 0 O-C-N 120.545 -1.347 . . . . 0.0 111.345 -177.231 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -121.04 -62.46 1.44 Allowed 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.523 -0.986 . . . . 0.0 109.094 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 71.7 mt-10 -91.75 16.71 10.19 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.005 -1.059 . . . . 0.0 111.204 -178.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.531 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -167.5 -156.89 10.27 Favored Glycine 0 N--CA 1.496 2.699 0 C-N-CA 118.434 -1.841 . . . . 0.0 112.43 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -69.02 143.46 54.32 Favored 'General case' 0 N--CA 1.495 1.82 0 CA-C-O 121.717 0.77 . . . . 0.0 110.997 -178.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -50.51 -60.0 3.46 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.69 -0.631 . . . . 0.0 112.3 -178.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 p90 -105.1 14.51 29.1 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.929 -1.107 . . . . 0.0 112.541 -177.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 66.3 tttt -137.22 144.31 42.76 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.659 -1.276 . . . . 0.0 109.249 179.572 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.636 HD13 ' CE2' ' B' ' 15' ' ' PHE . 2.5 tp -92.44 170.38 9.81 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 121.885 0.85 . . . . 0.0 110.074 -177.696 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 69.4 m -131.28 160.84 33.75 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 178.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 6.6 tptp -44.26 -39.91 4.82 Favored 'General case' 0 N--CA 1.504 2.231 0 O-C-N 120.715 -1.241 . . . . 0.0 111.327 178.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 tttp -78.73 -33.49 46.65 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.074 -1.641 . . . . 0.0 110.887 -178.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.531 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 85.8 mt-10 -71.35 -40.07 70.91 Favored 'General case' 0 C--N 1.297 -1.708 0 O-C-N 120.198 -1.564 . . . . 0.0 111.229 -179.394 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.665 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.5 pp -59.38 -45.5 91.28 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.494 -1.379 . . . . 0.0 108.837 179.331 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.665 ' N ' HD12 ' B' ' 33' ' ' LEU . 79.6 tttt -59.98 -39.86 87.17 Favored 'General case' 0 C--N 1.3 -1.573 0 C-N-CA 119.395 -0.922 . . . . 0.0 109.32 -178.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.5 m-20 -60.01 -41.73 92.76 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.058 -1.026 . . . . 0.0 111.168 -179.405 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.448 HD13 ' HA ' ' B' ' 36' ' ' LEU . 3.2 mm? -61.53 -35.85 78.9 Favored 'General case' 0 N--CA 1.504 2.258 0 O-C-N 120.96 -1.088 . . . . 0.0 110.368 -179.155 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' B' ' 37' ' ' LEU . 5.8 mp -75.37 -52.23 11.27 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.794 -1.191 . . . . 0.0 111.453 -177.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.475 ' OE1' ' NE2' ' B' ' 48' ' ' GLN . 12.8 pt20 -77.26 -18.33 57.69 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.086 -1.009 . . . . 0.0 113.568 -177.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.409 HG23 ' N ' ' B' ' 40' ' ' GLU . 1.3 t -54.98 -47.2 74.91 Favored 'General case' 0 C--N 1.296 -1.755 0 C-N-CA 117.177 -1.809 . . . . 0.0 108.911 -178.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.409 ' N ' HG23 ' B' ' 39' ' ' THR . 75.5 mm-40 -114.74 -38.19 4.03 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.346 -0.846 . . . . 0.0 111.383 -178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.479 HD13 HD13 ' B' ' 45' ' ' LEU . 50.2 mt -93.43 40.07 1.06 Allowed 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.957 -1.09 . . . . 0.0 109.595 -178.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 10.2 t -59.95 -50.09 75.13 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 121.563 0.697 . . . . 0.0 110.56 179.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 41.6 t -81.1 -22.55 39.06 Favored 'General case' 0 C--N 1.3 -1.556 0 O-C-N 121.452 -0.78 . . . . 0.0 111.647 -178.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.412 ' O ' ' C ' ' B' ' 45' ' ' LEU . 3.6 t80 -86.34 -88.48 0.12 Allowed 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.316 -1.49 . . . . 0.0 112.485 -176.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.479 HD13 HD13 ' B' ' 41' ' ' LEU . 1.2 mp -38.2 157.49 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.282 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 -176.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.452 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 40.9 t0 -95.37 101.78 13.54 Favored 'General case' 0 N--CA 1.503 2.18 0 CA-C-N 122.101 2.228 . . . . 0.0 109.223 177.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.475 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -146.23 -55.93 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.504 2.245 0 O-C-N 120.39 -1.444 . . . . 0.0 108.595 178.195 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.475 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 76.8 mm-40 -70.14 -40.52 74.75 Favored 'General case' 0 N--CA 1.489 1.481 0 O-C-N 121.0 -1.063 . . . . 0.0 110.08 179.627 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mtmt -70.72 -24.84 62.71 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.408 -0.96 . . . . 0.0 108.408 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -135.57 88.38 2.4 Favored 'General case' 0 C--N 1.302 -1.495 0 N-CA-C 108.16 -1.052 . . . . 0.0 108.16 177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.0 -32.0 65.67 Favored 'General case' 0 N--CA 1.488 1.439 0 N-CA-C 107.424 -1.324 . . . . 0.0 107.424 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 -59.97 -38.82 83.64 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.518 -1.29 . . . . 0.0 107.518 176.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.487 ' O ' HD13 ' B' ' 57' ' ' ILE . . . -54.82 -39.28 68.34 Favored 'General case' 0 C--N 1.298 -1.673 0 C-N-CA 118.628 -1.229 . . . . 0.0 108.913 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.16 -39.96 82.1 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.102 -1.624 . . . . 0.0 108.292 178.673 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -62.34 -41.82 98.88 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.97 -1.081 . . . . 0.0 111.944 -178.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -66.75 -39.97 88.1 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.453 -1.405 . . . . 0.0 109.979 -178.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.539 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 1.4 mp -69.89 -53.0 26.11 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.768 -0.582 . . . . 0.0 111.277 -178.828 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.414 ' O ' ' N ' ' B' ' 62' ' ' ASP . 25.5 ttt -60.08 -39.97 87.92 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 121.015 -1.053 . . . . 0.0 111.623 -178.432 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.425 ' NZ ' ' OD2' ' B' ' 62' ' ' ASP . 8.7 mmpt? -60.94 -41.29 95.95 Favored 'General case' 0 C--N 1.29 -1.98 0 N-CA-C 107.014 -1.476 . . . . 0.0 107.014 -179.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.42 -23.05 64.09 Favored 'General case' 0 C--N 1.291 -1.963 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 177.312 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.504 ' C ' ' H ' ' B' ' 63' ' ' GLU . 24.6 mt -94.02 -25.0 17.4 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.407 -0.808 . . . . 0.0 110.543 179.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.425 ' OD2' ' NZ ' ' B' ' 59' ' ' LYS . 86.7 m-20 -72.76 44.76 0.13 Allowed 'General case' 0 N--CA 1.488 1.444 0 O-C-N 120.511 -1.368 . . . . 0.0 107.749 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.504 ' H ' ' C ' ' B' ' 61' ' ' LEU . 97.6 mt-10 -60.05 -39.83 87.34 Favored 'General case' 0 C--N 1.305 -1.359 0 C-N-CA 119.825 -0.75 . . . . 0.0 109.089 -178.634 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.547 HD21 ' CG ' ' B' ' 66' ' ' ASP . 51.7 p30 -77.35 -12.37 59.95 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.328 -1.36 . . . . 0.0 107.328 178.49 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.415 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 70.7 32.39 67.14 Favored Glycine 0 N--CA 1.489 2.211 0 N-CA-C 109.258 -1.537 . . . . 0.0 109.258 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.547 ' CG ' HD21 ' B' ' 64' ' ' ASN . 48.5 p-10 -93.72 -6.65 45.69 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.303 -1.116 . . . . 0.0 111.485 -177.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.41 15.31 70.28 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.141 -1.584 . . . . 0.0 109.141 -179.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -136.78 172.27 13.26 Favored 'General case' 0 N--CA 1.488 1.43 0 N-CA-C 106.407 -1.701 . . . . 0.0 106.407 179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 5.0 t -124.43 126.27 71.63 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.539 0 O-C-N 120.524 -1.36 . . . . 0.0 110.468 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.2 t0 -92.9 150.64 20.45 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 107.475 -1.305 . . . . 0.0 107.475 178.276 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.54 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 0.1 OUTLIER -43.43 -39.9 3.49 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.33 -0.856 . . . . 0.0 110.231 -177.526 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -61.85 -34.84 76.7 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.348 -1.47 . . . . 0.0 109.4 179.105 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.459 ' O ' HG12 ' B' ' 76' ' ' VAL . 54.1 mt-10 -76.67 -43.74 36.67 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.963 0.887 . . . . 0.0 111.009 -178.124 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 3.1 t80 -69.61 -45.33 68.78 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.398 -0.814 . . . . 0.0 111.515 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.643 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.7 p -63.55 -30.41 49.77 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.402 -0.811 . . . . 0.0 110.634 -178.216 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.459 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -64.27 -33.7 64.33 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 N-CA-C 108.36 -0.978 . . . . 0.0 108.36 179.456 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.708 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.3 tm? -70.19 -55.45 9.31 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 121.782 -0.574 . . . . 0.0 111.876 -177.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.453 ' H ' HG23 ' B' ' 78' ' ' VAL . 1.2 t -60.04 -44.76 95.55 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.081 0 CA-C-O 122.159 0.98 . . . . 0.0 109.073 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.667 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -60.0 -40.48 89.34 Favored 'General case' 0 C--N 1.287 -2.128 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.633 179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.88 -24.91 59.79 Favored 'General case' 0 C--N 1.295 -1.8 0 N-CA-C 113.262 0.838 . . . . 0.0 113.262 -176.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.9 mp -83.41 -48.32 10.48 Favored 'General case' 0 N--CA 1.509 2.479 0 O-C-N 119.896 -1.752 . . . . 0.0 109.854 -179.222 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.426 HG23 ' N ' ' B' ' 83' ' ' VAL . 2.0 t -48.7 -47.02 41.4 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.129 -0.982 . . . . 0.0 109.973 179.221 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.451 HG23 ' N ' ' B' ' 84' ' ' ALA . 16.1 m -60.1 -41.72 87.47 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.181 -0.949 . . . . 0.0 109.706 177.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.451 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.05 -26.9 66.49 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.444 -0.785 . . . . 0.0 109.128 -179.497 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.2 t -70.8 -40.65 72.41 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.267 -0.896 . . . . 0.0 109.507 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -60.05 -40.49 89.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.304 -0.872 . . . . 0.0 109.528 179.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.5 m-20 -60.23 -40.08 88.96 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.33 -0.856 . . . . 0.0 110.39 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -81.89 -8.07 59.65 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.136 -0.978 . . . . 0.0 109.596 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -79.99 -20.05 46.37 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.158 -0.964 . . . . 0.0 108.675 178.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.415 ' O ' ' CG ' ' B' ' 90' ' ' TRP . 77.8 t90 -77.46 -6.61 54.12 Favored 'General case' 0 C--N 1.304 -1.395 0 N-CA-C 108.486 -0.931 . . . . 0.0 108.486 179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -65.81 148.11 52.29 Favored 'General case' 0 C--N 1.303 -1.456 0 N-CA-C 108.541 -0.911 . . . . 0.0 108.541 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 54.8 31.71 16.11 Favored 'General case' 0 C--N 1.298 -1.654 0 N-CA-C 109.19 -0.67 . . . . 0.0 109.19 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 45.3 m . . . . . 0 N--CA 1.492 1.658 0 CA-C-O 118.058 -0.972 . . . . 0.0 109.486 -179.566 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 30.6 p . . . . . 0 N--CA 1.492 1.649 0 N-CA-C 109.833 -0.432 . . . . 0.0 109.833 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.538 ' C ' ' H ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -124.2 39.11 4.05 Favored 'General case' 0 N--CA 1.502 2.14 0 O-C-N 121.488 -0.758 . . . . 0.0 109.108 179.537 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 7.6 p -70.37 18.63 0.05 Allowed 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.292 -0.88 . . . . 0.0 109.732 -179.828 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.538 ' H ' ' C ' ' X' ' 2' ' ' ARG . 1.8 pttm -168.08 169.44 11.12 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.323 -0.86 . . . . 0.0 109.116 -179.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.429 ' O ' ' CG ' ' A' ' 46' ' ' ASP . 3.2 pt -108.84 130.11 62.26 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 N-CA-C 108.208 -1.034 . . . . 0.0 108.208 179.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 36.5 p-10 -132.56 23.04 4.34 Favored 'General case' 0 N--CA 1.504 2.27 0 O-C-N 121.173 -0.954 . . . . 0.0 110.452 -178.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.652 ' O ' HG22 ' X' ' 10' ' ' ILE . 5.8 p-90 -60.01 -38.51 82.86 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.686 -1.259 . . . . 0.0 109.633 -179.549 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.468 ' HB2' ' H ' ' A' ' 46' ' ' ASP . 0.3 OUTLIER -51.15 -32.98 24.91 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.142 -1.599 . . . . 0.0 108.04 179.359 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.471 ' O ' ' N ' ' X' ' 12' ' ' SER . 85.3 tttt -62.56 -26.59 68.66 Favored 'General case' 0 C--N 1.305 -1.342 0 N-CA-C 107.334 -1.358 . . . . 0.0 107.334 177.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.652 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -50.01 -38.37 14.41 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.798 0 N-CA-C 107.21 -1.404 . . . . 0.0 107.21 178.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.411 HD22 HD21 ' A' ' 81' ' ' LEU . 65.5 tp -63.5 -39.93 95.74 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 107.771 -1.196 . . . . 0.0 107.771 177.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.471 ' N ' ' O ' ' X' ' 9' ' ' LYS . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.965 -1.017 . . . . 0.0 109.348 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 28.2 mmt180 -60.07 -42.19 94.02 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.196 -0.94 . . . . 0.0 109.677 -179.452 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 4.0 m -162.53 126.63 3.08 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.087 -1.008 . . . . 0.0 110.032 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 1.2 ptpm? -153.97 165.34 36.45 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.325 -0.86 . . . . 0.0 109.081 179.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 2.9 pt -120.8 137.09 55.67 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.866 0 N-CA-C 108.244 -1.021 . . . . 0.0 108.244 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -137.01 20.77 3.02 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 121.006 -1.059 . . . . 0.0 110.794 -178.356 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.605 ' O ' HG22 ' Y' ' 10' ' ' ILE . 4.9 p-90 -61.28 -38.29 86.21 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.758 -1.214 . . . . 0.0 110.208 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.478 ' HB2' ' H ' ' B' ' 46' ' ' ASP . 0.4 OUTLIER -52.49 -35.72 53.46 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 119.614 -1.929 . . . . 0.0 107.934 179.628 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.43 -24.61 63.64 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 107.11 -1.441 . . . . 0.0 107.11 178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.605 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.6 tt -51.0 -39.99 20.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 N-CA-C 106.83 -1.545 . . . . 0.0 106.83 178.586 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 60.0 tp -69.16 -40.03 78.43 Favored 'General case' 0 N--CA 1.49 1.557 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 177.567 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 9.5 t . . . . . 0 N--CA 1.491 1.584 0 CA-C-O 118.055 -0.974 . . . . 0.0 109.601 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.446 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.867 0 N-CA-C 119.224 2.45 . . . . 0.0 119.224 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.8 p -78.86 163.07 25.61 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.234 -1.157 . . . . 0.0 108.899 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.645 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 1.0 OUTLIER -59.99 -46.75 88.44 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.074 -1.016 . . . . 0.0 110.917 -178.118 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.4 HD23 ' O ' ' A' ' 4' ' ' LEU . 2.9 tt -64.16 -40.03 95.27 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.479 -1.388 . . . . 0.0 109.005 -179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 86.3 tt0 -59.92 -39.2 84.65 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.29 -0.881 . . . . 0.0 109.166 179.486 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.6 m -53.21 -40.07 64.21 Favored 'General case' 0 C--N 1.297 -1.708 0 CA-C-O 122.282 1.039 . . . . 0.0 109.946 179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.59 -32.44 71.18 Favored 'General case' 0 N--CA 1.49 1.552 0 N-CA-C 114.328 1.233 . . . . 0.0 114.328 -176.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.459 ' SD ' ' C ' ' A' ' 8' ' ' MET . 3.7 ppp? -76.5 -45.24 31.77 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.15 -1.594 . . . . 0.0 110.036 -177.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.435 ' N ' ' SD ' ' A' ' 8' ' ' MET . 98.3 mt-10 -68.48 -39.21 81.43 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.309 -0.869 . . . . 0.0 110.618 -178.692 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.478 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.18 -55.79 25.17 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 120.84 -1.162 . . . . 0.0 110.805 -178.042 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.478 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.2 mp -48.51 -36.38 15.11 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.397 -1.439 . . . . 0.0 108.788 179.23 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -68.14 -39.93 82.1 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.825 0 O-C-N 121.259 -0.9 . . . . 0.0 111.386 -179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -80.76 -42.25 22.12 Favored 'General case' 0 N--CA 1.508 2.466 0 O-C-N 119.865 -1.772 . . . . 0.0 113.316 -178.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.54 HG23 ' N ' ' A' ' 15' ' ' PHE . 13.3 m -60.0 -41.17 85.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.667 0 O-C-N 120.35 -1.469 . . . . 0.0 108.922 -178.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.54 ' N ' HG23 ' A' ' 14' ' ' VAL . 3.6 t80 -59.91 -38.37 82.13 Favored 'General case' 0 C--N 1.293 -1.856 0 N-CA-C 108.837 -0.801 . . . . 0.0 108.837 178.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 70.3 t60 -59.96 -37.87 80.84 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.772 -1.205 . . . . 0.0 109.579 178.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.15 -57.28 13.29 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.31 -0.869 . . . . 0.0 113.187 -177.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.44 -45.34 39.3 Favored 'General case' 0 N--CA 1.506 2.344 0 O-C-N 120.863 -1.148 . . . . 0.0 111.267 -178.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' A' ' 24' ' ' ASP . 22.1 p -60.01 -25.44 65.29 Favored 'General case' 0 C--N 1.291 -1.946 0 N-CA-C 113.292 0.849 . . . . 0.0 113.292 -178.524 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.04 5.43 50.05 Favored Glycine 0 N--CA 1.502 3.084 0 O-C-N 120.66 -1.275 . . . . 0.0 111.857 -177.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -123.74 -67.55 0.92 Allowed 'General case' 0 N--CA 1.502 2.165 0 CA-C-N 118.84 1.32 . . . . 0.0 109.487 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 80.8 mm-40 -81.83 61.85 5.36 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 120.591 -1.318 . . . . 0.0 108.854 179.702 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.41 -148.95 15.89 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.354 -1.403 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 19' ' ' SER . 95.9 m-20 -88.73 165.57 14.64 Favored 'General case' 0 N--CA 1.488 1.455 0 N-CA-C 108.907 -0.775 . . . . 0.0 108.907 179.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.68 -51.55 59.77 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.17 -0.956 . . . . 0.0 111.851 -177.545 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.4 m-85 -130.18 32.0 4.56 Favored 'General case' 0 N--CA 1.513 2.713 0 O-C-N 120.64 -1.287 . . . . 0.0 113.066 -177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.86 140.71 47.03 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 120.504 -1.373 . . . . 0.0 108.505 178.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.439 HD13 ' CE2' ' A' ' 15' ' ' PHE . 5.3 tp -95.59 156.52 16.29 Favored 'General case' 0 C--N 1.298 -1.657 0 N-CA-C 108.388 -0.968 . . . . 0.0 108.388 -178.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.572 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.8 p -129.54 164.87 22.84 Favored 'General case' 0 N--CA 1.496 1.832 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 51.4 tttt -48.72 -37.49 18.92 Favored 'General case' 0 N--CA 1.501 2.083 0 C-N-CA 118.649 -1.22 . . . . 0.0 112.219 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.53 ' NZ ' ' OD2' ' A' ' 35' ' ' ASP . 2.2 tmtm? -77.43 -29.78 53.08 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.083 -1.636 . . . . 0.0 110.301 -178.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.572 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -74.4 -40.94 61.7 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.65 -1.281 . . . . 0.0 111.522 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.1 pp -59.99 -45.58 92.25 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 120.646 -1.284 . . . . 0.0 109.117 179.737 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.663 ' N ' HD12 ' A' ' 33' ' ' LEU . 75.4 tttt -63.22 -39.41 94.54 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.767 -0.583 . . . . 0.0 111.24 -178.845 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.53 ' OD2' ' NZ ' ' A' ' 31' ' ' LYS . 97.8 m-20 -69.99 -39.85 75.68 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.945 -1.097 . . . . 0.0 110.871 -178.493 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.7 tp -66.01 -39.93 90.68 Favored 'General case' 0 C--N 1.296 -1.756 0 CA-C-O 122.038 0.923 . . . . 0.0 110.613 -177.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD21 HD23 ' A' ' 45' ' ' LEU . 6.2 tp -79.04 -52.68 7.89 Favored 'General case' 0 C--N 1.288 -2.098 0 CA-C-O 121.326 0.584 . . . . 0.0 111.984 -177.418 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.587 ' O ' ' N ' ' A' ' 42' ' ' SER . 14.0 pt20 -62.22 -39.96 94.53 Favored 'General case' 0 N--CA 1.499 1.994 0 CA-C-O 122.093 0.949 . . . . 0.0 112.757 -177.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.487 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 2.2 t -47.33 -48.95 25.2 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.4 -0.812 . . . . 0.0 110.761 -175.61 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' N ' HG23 ' A' ' 39' ' ' THR . 83.3 mt-10 -99.48 -15.16 18.79 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.241 -0.912 . . . . 0.0 109.887 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 65.4 mt -129.89 41.57 3.41 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.587 ' N ' ' O ' ' A' ' 38' ' ' GLN . 3.2 m -60.08 -50.38 73.95 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.435 -0.791 . . . . 0.0 110.159 -179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.5 t -83.76 -19.26 35.42 Favored 'General case' 0 C--N 1.302 -1.476 0 O-C-N 121.692 -0.63 . . . . 0.0 112.471 -177.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.642 ' O ' ' O ' ' A' ' 45' ' ' LEU . 1.2 t80 -80.54 -110.01 0.02 OUTLIER 'General case' 0 N--CA 1.498 1.957 0 O-C-N 119.843 -1.786 . . . . 0.0 109.923 -177.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.642 ' O ' ' O ' ' A' ' 44' ' ' PHE . 11.2 mp -15.76 151.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.961 0 CA-C-O 117.401 -1.285 . . . . 0.0 110.466 174.546 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.468 ' H ' ' HB2' ' X' ' 8' ' ' ASN . 44.8 t0 -91.3 104.29 16.84 Favored 'General case' 0 N--CA 1.515 2.784 0 CA-C-N 124.428 3.286 . . . . 0.0 109.816 174.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.435 HG11 HD23 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -142.32 -47.09 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.508 2.468 0 O-C-N 120.511 -1.368 . . . . 0.0 109.462 178.312 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.401 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 81.7 mt-30 -85.81 -12.29 51.27 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.134 -0.979 . . . . 0.0 110.01 -179.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.536 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 2.8 mmtt -92.46 -19.1 22.36 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 106.56 -1.645 . . . . 0.0 106.56 178.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' A' ' 49' ' ' LYS . 93.0 m-20 -143.28 93.73 2.53 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.312 -0.996 . . . . 0.0 108.312 178.243 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -31.32 65.17 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 107.013 -1.477 . . . . 0.0 107.013 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -59.93 -38.37 82.17 Favored 'General case' 0 C--N 1.299 -1.615 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 176.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.34 -40.09 85.26 Favored 'General case' 0 C--N 1.301 -1.509 0 C-N-CA 118.837 -1.145 . . . . 0.0 109.64 -177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.98 -36.51 67.58 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.284 -1.51 . . . . 0.0 108.248 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -63.16 -40.02 96.36 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.302 -0.874 . . . . 0.0 110.542 -178.67 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.57 -40.51 84.86 Favored 'General case' 0 N--CA 1.499 2.015 0 O-C-N 121.225 -0.922 . . . . 0.0 110.429 -178.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -70.14 -54.03 20.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.375 -0.828 . . . . 0.0 110.88 -179.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 22.8 ttt -60.07 -34.34 73.3 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.365 -0.834 . . . . 0.0 109.848 -178.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.1 ttpm? -59.15 -49.84 76.33 Favored 'General case' 0 C--N 1.295 -1.802 0 O-C-N 120.955 -1.091 . . . . 0.0 108.599 -179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.437 ' OE2' ' OG ' ' X' ' 12' ' ' SER . 96.4 mt-10 -59.99 -23.45 63.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.24 -0.913 . . . . 0.0 108.934 179.631 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.486 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.5 mt -86.67 -28.72 22.99 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.44 -0.787 . . . . 0.0 109.95 179.36 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 12.7 t0 -72.16 50.87 0.22 Allowed 'General case' 0 C--N 1.3 -1.57 0 N-CA-C 106.586 -1.635 . . . . 0.0 106.586 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 61' ' ' LEU . 95.3 mt-10 -60.04 -41.13 91.58 Favored 'General case' 0 C--N 1.307 -1.253 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 -178.257 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.25 -20.02 59.41 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.66 -1.607 . . . . 0.0 106.66 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.68 37.54 34.38 Favored Glycine 0 N--CA 1.481 1.677 0 N-CA-C 107.717 -2.153 . . . . 0.0 107.717 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.469 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 35.1 p-10 -98.19 -4.58 35.19 Favored 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.435 -1.038 . . . . 0.0 111.278 -177.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.561 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 73.78 12.69 80.84 Favored Glycine 0 N--CA 1.503 3.112 0 O-C-N 121.047 -1.033 . . . . 0.0 110.64 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 78.6 mt-10 -131.01 174.16 10.28 Favored 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 107.282 -1.377 . . . . 0.0 107.282 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 11.7 t -130.03 129.92 65.85 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.194 0 O-C-N 120.779 -1.2 . . . . 0.0 108.924 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.404 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 25.9 t0 -96.28 158.88 15.23 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.093 -1.004 . . . . 0.0 108.757 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.404 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 37.9 t80 -55.08 -27.28 43.78 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.755 -0.831 . . . . 0.0 108.755 -179.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 76' ' ' VAL . 62.5 tt0 -74.57 -25.22 59.14 Favored 'General case' 0 C--N 1.3 -1.565 0 CA-C-O 122.127 0.965 . . . . 0.0 108.823 178.009 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.45 -48.94 7.97 Favored 'General case' 0 C--N 1.302 -1.47 0 CA-C-O 121.692 0.758 . . . . 0.0 109.802 179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.07 -45.59 92.88 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.459 0.647 . . . . 0.0 111.22 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.703 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.7 t -60.03 -39.75 81.2 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.631 0 O-C-N 121.234 -0.917 . . . . 0.0 109.862 -179.143 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.4 t -59.99 -40.01 81.86 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.566 0 O-C-N 121.017 -1.052 . . . . 0.0 108.85 178.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.697 HD13 ' C ' ' A' ' 77' ' ' LEU . 2.9 tm? -62.34 -52.44 63.63 Favored 'General case' 0 N--CA 1.51 2.549 0 N-CA-C 113.093 0.775 . . . . 0.0 113.093 -178.562 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.664 ' O ' HG22 ' A' ' 82' ' ' THR . 11.4 m -58.64 -36.53 60.49 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.387 -1.446 . . . . 0.0 109.152 -179.383 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.717 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -65.55 -39.45 91.72 Favored 'General case' 0 C--N 1.288 -2.086 0 CA-C-O 121.642 0.734 . . . . 0.0 109.978 178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.75 -24.68 58.74 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.514 0.931 . . . . 0.0 113.514 -176.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.425 HD12 HD23 ' A' ' 45' ' ' LEU . 21.9 mt -88.8 -49.18 6.98 Favored 'General case' 0 N--CA 1.51 2.539 0 O-C-N 119.846 -1.784 . . . . 0.0 109.379 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.664 HG22 ' O ' ' A' ' 78' ' ' VAL . 1.8 t -45.89 -46.72 16.05 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 120.653 -1.279 . . . . 0.0 109.814 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.568 HG23 ' N ' ' A' ' 84' ' ' ALA . 27.6 m -59.95 -44.2 93.98 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 O-C-N 121.076 -1.015 . . . . 0.0 110.383 178.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.568 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.17 -25.04 65.23 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.19 -0.944 . . . . 0.0 109.392 -179.321 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.9 t -69.09 -34.38 75.01 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.17 -0.956 . . . . 0.0 109.0 179.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 29.1 m120 -60.02 -38.26 82.15 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 178.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -59.98 -40.01 87.64 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.224 -0.923 . . . . 0.0 109.133 179.499 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -82.87 -3.7 57.19 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.061 -1.024 . . . . 0.0 109.08 179.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.49 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 58.4 t80 -79.52 -5.11 54.17 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.184 -0.947 . . . . 0.0 108.877 179.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.8 t-105 -59.88 -40.67 89.5 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.452 -0.78 . . . . 0.0 109.693 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.5 pt-20 -60.05 143.86 50.93 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.215 -1.031 . . . . 0.0 108.215 179.432 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.8 t30 62.18 33.18 16.99 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.201 -0.937 . . . . 0.0 109.387 -179.195 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.8 m . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.545 -179.948 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.429 ' N ' ' CD ' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.357 2.503 . . . . 0.0 119.357 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 54.5 p -78.67 163.01 25.8 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.246 -1.149 . . . . 0.0 109.074 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.633 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 1.1 pm0 -60.06 -46.71 88.63 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.016 -1.052 . . . . 0.0 110.873 -178.189 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 2.8 tt -64.01 -40.04 95.46 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.568 -1.332 . . . . 0.0 109.053 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.429 ' CD ' ' N ' ' B' ' 1' ' ' GLY . 86.2 tt0 -59.96 -39.11 84.52 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 121.267 -0.895 . . . . 0.0 109.177 179.539 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 33.4 m -53.26 -40.05 64.32 Favored 'General case' 0 C--N 1.296 -1.738 0 CA-C-O 122.321 1.058 . . . . 0.0 110.019 179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.38 71.17 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 114.406 1.262 . . . . 0.0 114.406 -176.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.456 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.7 ppp? -76.47 -45.14 32.52 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.175 -1.578 . . . . 0.0 110.11 -177.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.44 ' N ' ' SD ' ' B' ' 8' ' ' MET . 98.3 mt-10 -68.64 -39.1 80.9 Favored 'General case' 0 C--N 1.296 -1.734 0 O-C-N 121.361 -0.837 . . . . 0.0 110.677 -178.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.51 -55.6 25.93 Favored 'General case' 0 N--CA 1.487 1.382 0 O-C-N 120.879 -1.138 . . . . 0.0 110.757 -177.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.481 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.4 mp -48.5 -36.45 15.23 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.4 -1.438 . . . . 0.0 108.829 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -68.03 -39.98 82.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.297 -0.877 . . . . 0.0 111.361 -179.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -80.7 -42.36 22.09 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 119.965 -1.709 . . . . 0.0 113.26 -177.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.552 HG23 ' N ' ' B' ' 15' ' ' PHE . 13.7 m -59.94 -41.11 84.91 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 120.342 -1.474 . . . . 0.0 108.872 -178.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.552 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.2 t80 -59.99 -38.48 82.73 Favored 'General case' 0 C--N 1.293 -1.868 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 178.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -60.0 -37.82 80.81 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.716 -1.24 . . . . 0.0 109.607 178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -57.27 -57.15 13.86 Favored 'General case' 0 N--CA 1.5 2.072 0 O-C-N 121.259 -0.901 . . . . 0.0 113.156 -178.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.2 m80 -75.42 -45.36 39.39 Favored 'General case' 0 N--CA 1.505 2.312 0 O-C-N 120.79 -1.194 . . . . 0.0 111.365 -178.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 23.2 p -60.02 -25.48 65.34 Favored 'General case' 0 C--N 1.292 -1.919 0 N-CA-C 113.279 0.844 . . . . 0.0 113.279 -178.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.93 5.32 50.28 Favored Glycine 0 N--CA 1.502 3.078 0 O-C-N 120.585 -1.322 . . . . 0.0 111.926 -177.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -123.61 -67.62 0.92 Allowed 'General case' 0 N--CA 1.502 2.127 0 CA-C-N 118.92 1.36 . . . . 0.0 109.517 179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 81.0 mm-40 -81.78 61.86 5.33 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 120.599 -1.313 . . . . 0.0 108.829 179.655 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.51 -148.96 15.86 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.309 -1.424 . . . . 0.0 111.279 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -88.81 165.69 14.51 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.823 -0.81 . . . . 0.0 108.866 179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.7 mmtt -52.74 -51.57 59.97 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.208 -0.933 . . . . 0.0 111.872 -177.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -129.99 31.75 4.64 Favored 'General case' 0 N--CA 1.512 2.65 0 O-C-N 120.576 -1.328 . . . . 0.0 113.106 -177.17 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 14.1 tptm -133.75 140.57 47.06 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 120.606 -1.308 . . . . 0.0 108.431 178.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.457 HD13 ' CE2' ' B' ' 15' ' ' PHE . 5.3 tp -95.1 156.53 16.28 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 108.414 -0.958 . . . . 0.0 108.414 -178.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.572 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.7 p -129.69 164.84 23.09 Favored 'General case' 0 N--CA 1.494 1.766 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 179.739 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 55.9 tttt -48.76 -37.51 19.2 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.688 -1.257 . . . . 0.0 112.186 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.527 ' NZ ' ' OD2' ' B' ' 35' ' ' ASP . 1.8 tmtm? -77.52 -29.74 52.54 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 120.05 -1.657 . . . . 0.0 110.151 -178.796 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.572 ' HB2' ' H ' ' B' ' 29' ' ' SER . 51.4 mt-10 -74.33 -40.85 61.93 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.641 -1.287 . . . . 0.0 111.506 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.657 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.1 pp -60.01 -45.59 92.28 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.724 -1.235 . . . . 0.0 109.173 179.708 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.657 ' N ' HD12 ' B' ' 33' ' ' LEU . 75.5 tttt -63.4 -39.06 93.49 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.865 -0.522 . . . . 0.0 111.246 -178.731 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.527 ' OD2' ' NZ ' ' B' ' 31' ' ' LYS . 98.0 m-20 -70.04 -39.96 75.41 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.844 -1.16 . . . . 0.0 110.871 -178.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -65.86 -39.99 91.25 Favored 'General case' 0 C--N 1.296 -1.752 0 CA-C-O 121.975 0.893 . . . . 0.0 110.618 -177.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.414 HD21 HD23 ' B' ' 45' ' ' LEU . 6.8 tp -78.89 -52.75 7.86 Favored 'General case' 0 C--N 1.289 -2.048 0 CA-C-O 121.481 0.658 . . . . 0.0 111.928 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.577 ' O ' ' N ' ' B' ' 42' ' ' SER . 13.9 pt20 -62.2 -40.05 94.79 Favored 'General case' 0 N--CA 1.498 1.933 0 CA-C-O 122.134 0.969 . . . . 0.0 112.752 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.489 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 2.7 t -47.26 -49.27 23.86 Favored 'General case' 0 C--N 1.3 -1.566 0 O-C-N 121.342 -0.849 . . . . 0.0 110.712 -175.519 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.434 ' N ' HG23 ' B' ' 39' ' ' THR . 85.6 mt-10 -99.16 -15.01 19.1 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.197 -0.939 . . . . 0.0 109.942 -179.865 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 63.7 mt -130.23 41.69 3.37 Favored 'General case' 0 N--CA 1.499 2.009 0 N-CA-C 108.954 -0.758 . . . . 0.0 108.954 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.577 ' N ' ' O ' ' B' ' 38' ' ' GLN . 3.3 m -60.01 -50.37 74.0 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.429 -0.794 . . . . 0.0 110.214 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 8.6 t -83.93 -18.24 38.01 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.671 -0.643 . . . . 0.0 112.458 -177.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.433 ' O ' ' O ' ' B' ' 45' ' ' LEU . 1.3 t80 -81.86 -96.34 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.926 0 O-C-N 119.991 -1.693 . . . . 0.0 112.007 -177.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.517 HD23 HD12 ' B' ' 81' ' ' LEU . 10.8 mp -40.09 159.37 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.259 0 N-CA-C 108.526 -0.916 . . . . 0.0 108.526 -177.502 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.478 ' H ' ' HB2' ' Y' ' 8' ' ' ASN . 44.1 t0 -91.38 103.88 16.47 Favored 'General case' 0 N--CA 1.504 2.264 0 CA-C-N 122.45 2.386 . . . . 0.0 109.535 178.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.412 HG11 HD23 ' B' ' 37' ' ' LEU . 0.6 OUTLIER -142.46 -47.15 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.18 0 O-C-N 120.798 -1.189 . . . . 0.0 109.067 178.532 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 79.3 mt-30 -85.55 -12.54 51.37 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.092 -1.005 . . . . 0.0 110.128 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.527 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 2.4 mmtt -92.61 -18.77 22.64 Favored 'General case' 0 N--CA 1.499 2.022 0 N-CA-C 106.643 -1.614 . . . . 0.0 106.643 178.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.427 ' OD1' ' O ' ' B' ' 49' ' ' LYS . 92.1 m-20 -143.58 93.45 2.47 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.177 -1.045 . . . . 0.0 108.177 178.337 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.44 64.94 Favored 'General case' 0 N--CA 1.489 1.487 0 N-CA-C 106.919 -1.511 . . . . 0.0 106.919 179.642 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -59.98 -38.59 82.99 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 108.344 -0.984 . . . . 0.0 108.344 176.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.62 -41.23 85.45 Favored 'General case' 0 C--N 1.303 -1.42 0 C-N-CA 118.749 -1.181 . . . . 0.0 109.462 -177.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.51 -36.41 64.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.087 -1.633 . . . . 0.0 108.161 179.642 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -62.91 -39.98 96.19 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.163 -0.961 . . . . 0.0 110.618 -178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -67.89 -40.2 83.52 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.076 -1.015 . . . . 0.0 110.437 -178.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -70.24 -53.82 21.47 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.428 -0.795 . . . . 0.0 110.886 -179.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 23.2 ttt -59.96 -34.61 73.5 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.373 -0.829 . . . . 0.0 109.862 -178.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 ttpm? -59.07 -49.98 75.8 Favored 'General case' 0 C--N 1.294 -1.814 0 O-C-N 120.905 -1.122 . . . . 0.0 108.608 -179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.1 -21.83 62.0 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.351 -0.843 . . . . 0.0 109.257 179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' B' ' 63' ' ' GLU . 33.7 mt -88.36 -28.46 20.97 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.541 -0.724 . . . . 0.0 109.839 178.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.554 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 12.8 t0 -72.44 50.93 0.24 Allowed 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 179.781 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' B' ' 61' ' ' LEU . 95.1 mt-10 -60.04 -40.99 91.27 Favored 'General case' 0 C--N 1.307 -1.274 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 -178.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -75.42 -19.94 59.19 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.52 37.57 35.13 Favored Glycine 0 N--CA 1.483 1.791 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 35.2 p-10 -98.13 -4.94 34.63 Favored 'General case' 0 N--CA 1.507 2.41 0 O-C-N 121.448 -1.03 . . . . 0.0 111.138 -177.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.554 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 74.07 12.7 81.41 Favored Glycine 0 N--CA 1.501 3.0 0 N-CA-C 110.607 -0.997 . . . . 0.0 110.607 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 78.3 mt-10 -130.89 174.31 10.1 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 15.1 t -129.98 129.85 65.92 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.219 0 O-C-N 120.689 -1.257 . . . . 0.0 108.97 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 25.6 t0 -96.16 159.07 15.15 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.979 -1.076 . . . . 0.0 108.697 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -55.14 -27.48 45.74 Favored 'General case' 0 N--CA 1.487 1.42 0 N-CA-C 108.667 -0.864 . . . . 0.0 108.667 -179.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.517 ' O ' HG23 ' B' ' 76' ' ' VAL . 62.7 tt0 -74.53 -25.14 59.13 Favored 'General case' 0 C--N 1.299 -1.617 0 CA-C-O 122.099 0.952 . . . . 0.0 108.758 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 80.8 mt-10 -86.5 -48.78 8.09 Favored 'General case' 0 C--N 1.303 -1.415 0 CA-C-O 121.802 0.811 . . . . 0.0 109.835 179.718 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 65.0 t80 -61.96 -45.76 92.26 Favored 'General case' 0 N--CA 1.491 1.595 0 CA-C-O 121.504 0.668 . . . . 0.0 111.196 -179.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.717 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.5 t -60.07 -39.59 80.81 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.591 0 O-C-N 121.215 -0.928 . . . . 0.0 109.803 -178.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.517 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.0 t -60.07 -40.05 82.14 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.644 0 C-N-CA 119.134 -1.026 . . . . 0.0 108.835 178.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.684 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.0 tm? -62.4 -52.39 63.79 Favored 'General case' 0 N--CA 1.509 2.504 0 N-CA-C 113.123 0.786 . . . . 0.0 113.123 -178.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.662 ' O ' HG22 ' B' ' 82' ' ' THR . 13.1 m -58.7 -36.38 60.07 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.377 0 O-C-N 120.447 -1.408 . . . . 0.0 109.232 -179.434 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.703 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -65.5 -39.34 91.76 Favored 'General case' 0 C--N 1.288 -2.091 0 CA-C-O 121.723 0.773 . . . . 0.0 109.925 178.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.0 -24.57 58.43 Favored 'General case' 0 C--N 1.302 -1.484 0 N-CA-C 113.571 0.952 . . . . 0.0 113.571 -176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.517 HD12 HD23 ' B' ' 45' ' ' LEU . 21.5 mt -88.84 -48.97 7.1 Favored 'General case' 0 N--CA 1.511 2.602 0 O-C-N 119.829 -1.794 . . . . 0.0 109.446 -179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.662 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.8 t -46.11 -46.54 17.13 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.85 -1.156 . . . . 0.0 109.648 178.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.547 HG23 ' N ' ' B' ' 84' ' ' ALA . 27.5 m -59.97 -44.15 93.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 O-C-N 121.031 -1.043 . . . . 0.0 110.482 178.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.547 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.66 -24.93 65.97 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.244 -0.91 . . . . 0.0 109.384 -179.165 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 50.0 t -69.33 -34.0 73.96 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.066 -1.021 . . . . 0.0 108.995 179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 29.0 m120 -59.95 -38.4 82.32 Favored 'General case' 0 C--N 1.304 -1.375 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 178.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.6 m-20 -59.98 -39.98 87.53 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.313 -0.867 . . . . 0.0 109.142 179.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -82.53 -3.96 56.79 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.076 -1.015 . . . . 0.0 109.129 179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.49 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 58.1 t80 -79.47 -4.99 53.8 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.233 -0.917 . . . . 0.0 108.979 179.579 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.5 t-105 -59.99 -40.53 89.47 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.405 -0.81 . . . . 0.0 109.692 -179.719 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.21 143.71 51.89 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 179.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.1 t30 62.41 33.09 16.5 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.318 -0.863 . . . . 0.0 109.292 -179.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 53.1 m . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 118.061 -0.971 . . . . 0.0 109.509 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . 0.411 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 62.5 p . . . . . 0 N--CA 1.49 1.565 0 CA-C-O 121.306 0.574 . . . . 0.0 109.499 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.411 ' N ' ' OG1' ' X' ' 1' ' ' THR . 59.4 mtm180 -60.06 -40.16 88.53 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.309 -0.869 . . . . 0.0 109.383 -179.656 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 24.7 p -64.58 -40.45 95.57 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.165 -0.96 . . . . 0.0 110.031 -179.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -88.16 142.7 27.55 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.996 -1.065 . . . . 0.0 108.464 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -96.37 125.29 49.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 -179.381 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' X' ' 9' ' ' LYS . 74.7 m-20 -147.48 8.06 0.89 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.342 -0.849 . . . . 0.0 109.08 -179.557 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.608 ' CE2' ' ND2' ' X' ' 8' ' ' ASN . 35.9 p-90 -55.71 -41.54 73.95 Favored 'General case' 0 C--N 1.302 -1.457 0 N-CA-C 107.234 -1.395 . . . . 0.0 107.234 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.608 ' ND2' ' CE2' ' X' ' 7' ' ' TRP . 46.5 m-80 -52.49 -29.32 24.36 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.168 -1.583 . . . . 0.0 107.573 177.347 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.538 ' O ' ' N ' ' X' ' 12' ' ' SER . 25.0 ttpp -55.28 -23.81 25.04 Favored 'General case' 0 N--CA 1.485 1.288 0 N-CA-C 105.707 -1.96 . . . . 0.0 105.707 178.075 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.589 ' N ' ' O ' ' X' ' 7' ' ' TRP . 10.8 tt -50.01 -36.76 12.45 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.992 0 N-CA-C 105.222 -2.14 . . . . 0.0 105.222 175.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.566 HD13 ' O ' ' X' ' 11' ' ' LEU . 0.3 OUTLIER -60.02 -39.83 87.2 Favored 'General case' 0 C--N 1.302 -1.496 0 CA-C-N 113.845 -1.525 . . . . 0.0 107.793 178.761 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.538 ' N ' ' O ' ' X' ' 9' ' ' LYS . 19.9 p . . . . . 0 N--CA 1.493 1.703 0 CA-C-O 117.982 -1.009 . . . . 0.0 109.647 179.694 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 9.9 t . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.427 -0.583 . . . . 0.0 109.427 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 -79.01 155.99 28.61 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.03 -1.043 . . . . 0.0 109.581 -179.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 1.3 t -79.71 138.3 37.29 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.246 -0.909 . . . . 0.0 109.546 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 1.7 pttt -85.86 -47.77 9.37 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.482 -0.762 . . . . 0.0 110.398 -179.019 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 1.8 tt -122.21 121.09 63.03 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.33 0 O-C-N 121.106 -0.996 . . . . 0.0 110.011 -179.515 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.4 ' O ' ' OD1' ' Y' ' 6' ' ' ASP . 12.0 t70 -150.04 -4.0 0.37 Allowed 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.999 0.904 . . . . 0.0 108.574 178.611 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.589 ' O ' HG22 ' Y' ' 10' ' ' ILE . 23.3 p-90 -59.94 -47.63 85.01 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 120.911 -1.118 . . . . 0.0 108.989 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.588 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 0.5 OUTLIER -49.88 -32.32 14.22 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.078 -1.639 . . . . 0.0 109.367 179.719 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' Y' ' 12' ' ' SER . 87.5 tttt -59.47 -24.39 63.52 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 106.503 -1.666 . . . . 0.0 106.503 178.333 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.589 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.4 tt -47.05 -38.87 4.52 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 N-CA-C 106.476 -1.676 . . . . 0.0 106.476 177.398 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.558 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 7.9 tt -67.33 -40.14 85.89 Favored 'General case' 0 C--N 1.297 -1.684 0 CA-C-N 114.297 -1.32 . . . . 0.0 108.921 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 19.5 m . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.493 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.848 0 N-CA-C 119.443 2.537 . . . . 0.0 119.443 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 m -79.83 168.53 19.15 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.145 -1.209 . . . . 0.0 108.752 179.683 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.407 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 35.7 mp0 -59.87 -49.47 77.58 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.902 -1.124 . . . . 0.0 111.473 -177.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' HG ' HG21 ' B' ' 14' ' ' VAL . 6.1 mt -59.98 -44.17 94.64 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.428 -1.42 . . . . 0.0 109.617 -179.345 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -61.54 -35.41 77.67 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.087 -1.008 . . . . 0.0 109.96 -179.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.88 -43.87 94.53 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.383 -0.823 . . . . 0.0 110.25 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' B' ' 7' ' ' ALA . . . -70.83 -28.57 64.71 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.498 -0.751 . . . . 0.0 112.318 -178.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 23.3 ttt -68.53 -50.69 50.18 Favored 'General case' 0 C--N 1.294 -1.83 0 O-C-N 120.22 -1.55 . . . . 0.0 109.832 -178.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -70.03 -36.98 75.45 Favored 'General case' 0 C--N 1.294 -1.822 0 O-C-N 121.813 -0.555 . . . . 0.0 111.084 -176.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.55 ' O ' ' N ' ' A' ' 13' ' ' ASN . 2.0 t -60.18 -54.88 40.59 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.138 -1.425 . . . . 0.0 109.176 -178.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.485 ' N ' ' CG2' ' A' ' 10' ' ' THR . 6.9 mp -47.61 -34.72 8.24 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.444 -1.41 . . . . 0.0 108.503 178.73 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.505 ' O ' ' CD2' ' A' ' 16' ' ' HIS . 69.9 mt -72.35 -23.64 21.5 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.147 -0.971 . . . . 0.0 108.809 178.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' A' ' 10' ' ' THR . 18.8 t-20 -77.81 -53.58 7.33 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 121.352 -0.843 . . . . 0.0 112.026 178.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.3 m -72.12 -42.32 67.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.352 -0.843 . . . . 0.0 111.292 -178.004 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.627 ' CZ ' ' CE2' ' A' ' 74' ' ' PHE . 5.0 m-30 -60.11 -42.35 94.56 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.541 -1.349 . . . . 0.0 107.699 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.505 ' CD2' ' O ' ' A' ' 12' ' ' ILE . 10.1 m-70 -61.38 -38.85 88.5 Favored 'General case' 0 C--N 1.293 -1.858 0 O-C-N 120.786 -1.196 . . . . 0.0 109.676 178.834 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.76 -55.52 33.25 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 121.432 -0.792 . . . . 0.0 113.064 -178.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.757 ' CD2' HD21 ' A' ' 36' ' ' LEU . 19.1 m-70 -79.04 -43.95 23.19 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.612 -1.305 . . . . 0.0 111.344 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.6 m -57.5 -31.18 65.76 Favored 'General case' 0 C--N 1.292 -1.924 0 N-CA-C 113.493 0.923 . . . . 0.0 113.493 -178.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.31 9.58 57.68 Favored Glycine 0 N--CA 1.504 3.231 0 O-C-N 120.567 -1.333 . . . . 0.0 110.092 -178.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 23' ' ' GLY . 11.7 ttmm -125.99 -73.65 0.62 Allowed 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.524 -0.986 . . . . 0.0 108.883 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.421 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 97.1 mt-10 -69.62 42.73 0.05 OUTLIER 'General case' 0 C--N 1.296 -1.739 0 O-C-N 120.91 -1.119 . . . . 0.0 110.277 -179.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 21' ' ' LYS . . . 173.47 -141.52 6.12 Favored Glycine 0 N--CA 1.496 2.697 0 C-N-CA 119.449 -1.358 . . . . 0.0 110.856 179.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -88.98 170.09 10.98 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.448 -0.945 . . . . 0.0 108.448 178.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 48.8 mttt -59.55 -49.39 77.96 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.873 -1.142 . . . . 0.0 112.093 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 43.3 p90 -125.4 28.35 6.31 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.306 -1.497 . . . . 0.0 112.834 -177.059 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -133.9 141.07 47.21 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 120.559 -1.338 . . . . 0.0 108.708 178.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 6.5 tp -91.79 155.77 18.0 Favored 'General case' 0 C--N 1.297 -1.683 0 N-CA-C 108.101 -1.074 . . . . 0.0 108.101 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.542 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 35.3 t -129.32 160.62 32.45 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.203 -0.936 . . . . 0.0 109.258 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -43.98 -42.31 5.92 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.133 -0.98 . . . . 0.0 111.839 -179.671 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -77.08 -25.61 52.49 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 119.596 -1.94 . . . . 0.0 110.863 -178.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.542 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.4 mt-10 -73.9 -43.4 58.58 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.727 -1.233 . . . . 0.0 111.115 -179.597 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.706 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.3 pp -59.88 -42.67 94.25 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.769 -1.207 . . . . 0.0 108.073 178.658 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.706 ' N ' HD12 ' A' ' 33' ' ' LEU . 79.3 tttt -60.02 -41.06 91.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.271 -178.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 62.6 t0 -63.4 -44.83 93.56 Favored 'General case' 0 N--CA 1.501 2.092 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -178.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.757 HD21 ' CD2' ' A' ' 18' ' ' HIS . 58.3 mt -71.59 -39.98 70.18 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 119.588 -1.945 . . . . 0.0 111.524 -178.285 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 18.2 mt -68.23 -46.55 70.22 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.035 -1.041 . . . . 0.0 112.645 -177.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.495 ' CG ' ' N ' ' A' ' 39' ' ' THR . 16.2 pt20 -71.35 -40.96 70.36 Favored 'General case' 0 N--CA 1.496 1.831 0 CA-C-O 122.164 0.983 . . . . 0.0 112.069 -177.801 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.495 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.3 m -59.95 -44.39 94.42 Favored 'General case' 0 C--N 1.295 -1.761 0 CA-C-N 115.527 -0.76 . . . . 0.0 111.323 -175.349 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.456 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 35.3 mp0 -99.41 -17.52 17.94 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 121.009 -1.057 . . . . 0.0 111.791 -177.698 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.718 HD13 HD23 ' A' ' 45' ' ' LEU . 81.6 mt -134.96 52.06 2.06 Favored 'General case' 0 N--CA 1.504 2.263 0 O-C-N 120.883 -1.135 . . . . 0.0 110.818 -178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.547 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 58.1 m -61.92 -45.46 93.63 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.877 -1.139 . . . . 0.0 110.195 179.549 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 72.8 m -66.06 -40.05 90.58 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.302 -0.874 . . . . 0.0 111.561 -178.387 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.644 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.2 t80 -91.49 -104.75 0.1 Allowed 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.858 -1.151 . . . . 0.0 111.513 -177.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.718 HD23 HD13 ' A' ' 41' ' ' LEU . 3.8 mm? -8.5 138.95 0.0 OUTLIER 'General case' 0 N--CA 1.528 3.45 0 CA-C-O 115.776 -2.059 . . . . 0.0 110.205 177.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 12.8 p30 -88.77 124.57 34.27 Favored 'General case' 0 N--CA 1.518 2.969 1 CA-C-N 126.882 4.401 . . . . 0.0 110.043 176.017 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.422 HG12 ' N ' ' A' ' 48' ' ' GLN . 57.8 t -151.63 -94.19 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.124 0 O-C-N 120.704 -1.248 . . . . 0.0 110.992 178.435 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.422 ' N ' HG12 ' A' ' 47' ' ' VAL . 27.0 mt-30 -60.39 -40.37 90.64 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.291 -0.88 . . . . 0.0 112.337 -177.534 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.692 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -63.32 -17.15 62.24 Favored 'General case' 0 N--CA 1.493 1.721 0 N-CA-C 107.37 -1.345 . . . . 0.0 107.37 -179.756 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.0 t0 -148.54 91.26 1.87 Allowed 'General case' 0 C--N 1.3 -1.567 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 178.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.06 -36.08 76.55 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' CG ' ' NZ ' ' A' ' 56' ' ' LYS . 19.9 t0 -56.36 -37.82 70.57 Favored 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.84 -40.19 96.66 Favored 'General case' 0 C--N 1.299 -1.607 0 C-N-CA 118.985 -1.086 . . . . 0.0 111.318 -176.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -58.84 -33.29 49.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.019 -1.675 . . . . 0.0 108.107 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -68.99 -39.28 79.47 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.445 -0.784 . . . . 0.0 110.741 -179.102 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.481 ' NZ ' ' CG ' ' A' ' 52' ' ' ASP . 61.4 mttp -69.28 -39.89 78.1 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.055 -1.028 . . . . 0.0 110.789 -178.633 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 1.6 mp -68.59 -55.7 15.03 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.367 -0.833 . . . . 0.0 109.553 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.482 ' O ' ' N ' ' A' ' 62' ' ' ASP . 1.4 ttt -60.1 -36.69 77.99 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.378 -0.826 . . . . 0.0 109.831 -179.46 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 13.3 ttpt -59.87 -44.93 93.89 Favored 'General case' 0 C--N 1.291 -1.972 0 N-CA-C 106.999 -1.482 . . . . 0.0 106.999 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 73.0 mm-40 -61.04 -25.93 67.27 Favored 'General case' 0 C--N 1.303 -1.437 0 N-CA-C 108.116 -1.068 . . . . 0.0 108.116 178.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.521 ' O ' ' N ' ' A' ' 63' ' ' GLU . 34.6 mt -90.66 -27.79 18.8 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.411 -0.805 . . . . 0.0 109.754 179.453 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.482 ' N ' ' O ' ' A' ' 58' ' ' MET . 90.1 m-20 -72.09 49.02 0.18 Allowed 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 107.05 -1.463 . . . . 0.0 107.05 -179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.521 ' N ' ' O ' ' A' ' 61' ' ' LEU . 43.7 mt-10 -59.88 -42.21 93.29 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 -178.513 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -74.44 -20.75 59.91 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 106.931 -1.507 . . . . 0.0 106.931 178.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.06 39.97 22.09 Favored Glycine 0 N--CA 1.486 1.994 0 N-CA-C 107.665 -2.174 . . . . 0.0 107.665 -178.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 41.1 p-10 -97.14 -7.31 32.9 Favored 'General case' 0 N--CA 1.509 2.477 0 O-C-N 121.502 -0.999 . . . . 0.0 112.437 -176.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.57 6.91 82.34 Favored Glycine 0 N--CA 1.502 3.045 0 O-C-N 120.694 -1.254 . . . . 0.0 110.125 -179.631 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 94.0 mt-10 -131.71 175.96 8.74 Favored 'General case' 0 N--CA 1.487 1.396 0 N-CA-C 106.63 -1.619 . . . . 0.0 106.63 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.08 130.38 68.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.218 0 O-C-N 120.68 -1.263 . . . . 0.0 108.965 179.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.442 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 38.0 t0 -93.57 167.95 11.35 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.332 -0.855 . . . . 0.0 108.776 179.679 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.442 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 1.0 OUTLIER -59.94 -37.79 80.55 Favored 'General case' 0 C--N 1.302 -1.46 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 -178.317 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.611 ' O ' HG23 ' A' ' 76' ' ' VAL . 60.4 tt0 -69.52 -24.2 63.71 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.101 -0.999 . . . . 0.0 109.203 178.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 71.6 mt-10 -85.62 -51.09 6.71 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.801 0.81 . . . . 0.0 110.304 -179.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.627 ' CE2' ' CZ ' ' A' ' 15' ' ' PHE . 1.3 t80 -63.0 -46.86 85.64 Favored 'General case' 0 C--N 1.299 -1.608 0 CA-C-O 121.777 0.798 . . . . 0.0 111.25 -178.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.695 HG12 ' HB1' ' B' ' 79' ' ' ALA . 50.6 t -60.24 -38.26 76.67 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.897 0 O-C-N 121.172 -0.955 . . . . 0.0 110.604 -179.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.611 HG23 ' O ' ' A' ' 72' ' ' GLN . 55.1 t -57.9 -40.04 74.42 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 C-N-CA 118.894 -1.122 . . . . 0.0 108.974 179.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.708 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.1 tm? -60.43 -51.09 70.97 Favored 'General case' 0 N--CA 1.507 2.394 0 O-C-N 121.218 -0.926 . . . . 0.0 112.603 -178.782 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 17.0 m -63.54 -28.64 45.42 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.484 -1.385 . . . . 0.0 109.504 -179.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.665 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -71.67 -34.88 70.07 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 121.271 -0.893 . . . . 0.0 110.138 179.033 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -87.0 -20.76 26.78 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 113.598 0.962 . . . . 0.0 113.598 -176.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.11 HD13 ' N ' ' A' ' 82' ' ' THR . 0.0 OUTLIER -81.62 -31.27 32.53 Favored 'General case' 0 N--CA 1.509 2.513 0 O-C-N 119.38 -2.075 . . . . 0.0 108.394 179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 1.11 ' N ' HD13 ' A' ' 81' ' ' LEU . 3.6 t -72.23 -42.87 65.21 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 121.09 -1.006 . . . . 0.0 110.923 179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.647 HG13 ' O ' ' A' ' 79' ' ' ALA . 18.6 m -60.06 -44.84 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 120.883 -1.135 . . . . 0.0 108.995 178.599 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.595 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -66.83 -30.34 70.5 Favored 'General case' 0 C--N 1.3 -1.553 0 CA-C-O 121.568 0.699 . . . . 0.0 109.311 -179.736 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 41.0 t -64.37 -39.98 94.94 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.509 -0.744 . . . . 0.0 109.161 178.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 57.5 t30 -60.81 -32.79 72.14 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.384 -0.823 . . . . 0.0 109.421 179.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.7 t30 -59.88 -39.91 86.9 Favored 'General case' 0 C--N 1.303 -1.43 0 O-C-N 121.294 -0.879 . . . . 0.0 108.98 -179.4 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.4 m-85 -84.25 -6.98 59.47 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 120.936 -1.103 . . . . 0.0 109.997 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -72.86 -35.53 67.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.814 -1.179 . . . . 0.0 109.038 179.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 70.4 t-105 -86.17 -3.26 58.92 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 121.782 -0.574 . . . . 0.0 110.954 -178.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -59.94 -39.65 86.26 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.801 -1.187 . . . . 0.0 109.542 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 30.3 m120 -96.92 0.04 48.37 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.141 -0.974 . . . . 0.0 109.808 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.954 -1.022 . . . . 0.0 109.259 -179.736 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.944 0 N-CA-C 119.398 2.519 . . . . 0.0 119.398 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -79.69 168.52 19.23 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.167 -1.196 . . . . 0.0 108.604 179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.446 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 36.8 mp0 -59.89 -49.54 77.29 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.815 -1.178 . . . . 0.0 111.58 -177.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 6.1 mt -59.99 -43.88 94.86 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.396 -1.44 . . . . 0.0 109.752 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -61.75 -35.2 77.43 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 120.996 -1.065 . . . . 0.0 109.928 -179.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.8 m -59.94 -44.08 94.59 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.422 -0.799 . . . . 0.0 110.294 -179.189 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.45 ' HB1' ' HB1' ' A' ' 7' ' ' ALA . . . -70.24 -28.91 65.62 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.654 -0.654 . . . . 0.0 112.286 -178.802 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 24.2 ttt -68.52 -50.78 49.48 Favored 'General case' 0 C--N 1.297 -1.698 0 O-C-N 120.363 -1.46 . . . . 0.0 109.778 -178.06 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -70.0 -36.95 75.54 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 121.85 -0.531 . . . . 0.0 111.19 -176.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.543 ' O ' ' N ' ' B' ' 13' ' ' ASN . 1.9 t -60.17 -54.66 43.19 Favored 'General case' 0 C--N 1.304 -1.394 0 C-N-CA 118.28 -1.368 . . . . 0.0 109.277 -178.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.48 ' N ' ' CG2' ' B' ' 10' ' ' THR . 6.9 mp -48.01 -34.26 9.12 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 120.358 -1.464 . . . . 0.0 108.588 178.651 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.498 ' O ' ' CD2' ' B' ' 16' ' ' HIS . 70.3 mt -72.81 -23.69 20.76 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 O-C-N 121.103 -0.998 . . . . 0.0 108.785 178.781 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 10' ' ' THR . 19.1 t-20 -77.69 -53.13 7.91 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.364 -0.835 . . . . 0.0 112.026 178.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.434 HG21 ' HG ' ' A' ' 4' ' ' LEU . 28.5 m -72.72 -42.24 62.09 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.383 -0.823 . . . . 0.0 111.195 -177.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.643 ' CZ ' ' CE2' ' B' ' 74' ' ' PHE . 5.0 m-30 -60.1 -42.45 94.68 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.556 -1.34 . . . . 0.0 107.504 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.498 ' CD2' ' O ' ' B' ' 12' ' ' ILE . 10.2 m-70 -61.2 -39.19 89.27 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 120.695 -1.253 . . . . 0.0 109.62 178.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.5 -55.7 31.32 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.348 -0.845 . . . . 0.0 113.022 -178.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.755 ' CD2' HD21 ' B' ' 36' ' ' LEU . 19.1 m-70 -78.91 -44.05 23.49 Favored 'General case' 0 N--CA 1.505 2.291 0 O-C-N 120.604 -1.31 . . . . 0.0 111.424 -178.155 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.46 ' O ' ' O ' ' B' ' 24' ' ' ASP . 6.0 m -57.5 -30.97 65.55 Favored 'General case' 0 C--N 1.291 -1.944 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 -178.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.47 9.26 57.29 Favored Glycine 0 N--CA 1.504 3.17 0 O-C-N 120.573 -1.33 . . . . 0.0 110.201 -178.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.436 ' O ' ' N ' ' B' ' 23' ' ' GLY . 12.4 ttmm -125.96 -73.53 0.62 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.582 -0.952 . . . . 0.0 108.923 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.415 ' O ' ' CG ' ' B' ' 32' ' ' GLU . 96.4 mt-10 -69.35 42.23 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.886 -1.134 . . . . 0.0 110.411 -179.555 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' B' ' 21' ' ' LYS . . . 173.83 -141.3 5.94 Favored Glycine 0 N--CA 1.495 2.591 0 C-N-CA 119.47 -1.348 . . . . 0.0 110.886 179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.46 ' O ' ' O ' ' B' ' 19' ' ' SER . 94.9 m-20 -89.21 170.15 10.84 Favored 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 108.343 -0.984 . . . . 0.0 108.343 178.864 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 52.5 mttt -59.54 -49.77 76.5 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 120.955 -1.091 . . . . 0.0 112.046 -177.008 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 42.6 p90 -125.14 28.39 6.39 Favored 'General case' 0 N--CA 1.512 2.673 0 O-C-N 120.326 -1.484 . . . . 0.0 112.857 -177.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 35.4 tptt -133.94 140.72 46.95 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.53 -1.356 . . . . 0.0 108.569 179.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 6.4 tp -91.35 156.24 17.91 Favored 'General case' 0 C--N 1.296 -1.719 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 -179.036 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.51 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.1 t -129.5 160.86 31.87 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 121.163 -0.96 . . . . 0.0 109.066 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -44.8 -41.85 7.32 Favored 'General case' 0 N--CA 1.502 2.128 0 C-N-CA 119.313 -0.955 . . . . 0.0 111.853 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -77.06 -25.71 52.74 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 119.576 -1.952 . . . . 0.0 110.776 -178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.51 ' HB2' ' H ' ' B' ' 29' ' ' SER . 50.5 mt-10 -73.93 -43.03 59.65 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.619 -1.301 . . . . 0.0 111.134 -179.523 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.713 HD12 ' N ' ' B' ' 34' ' ' LYS . 4.3 pp -60.02 -42.54 94.56 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 108.098 178.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.713 ' N ' HD12 ' B' ' 33' ' ' LEU . 81.3 tttt -60.08 -41.02 91.56 Favored 'General case' 0 N--CA 1.491 1.605 0 CA-C-N 115.418 -0.81 . . . . 0.0 111.148 -178.467 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 62.0 t0 -63.38 -45.32 91.64 Favored 'General case' 0 N--CA 1.501 2.104 0 N-CA-C 113.632 0.975 . . . . 0.0 113.632 -177.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.755 HD21 ' CD2' ' B' ' 18' ' ' HIS . 61.6 mt -71.19 -39.88 71.54 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 119.653 -1.904 . . . . 0.0 111.558 -178.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 17.0 mt -68.66 -46.26 69.59 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 121.139 -0.975 . . . . 0.0 112.68 -177.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.51 ' CG ' ' N ' ' B' ' 39' ' ' THR . 16.3 pt20 -71.41 -41.02 70.1 Favored 'General case' 0 N--CA 1.494 1.751 0 CA-C-O 122.319 1.057 . . . . 0.0 111.983 -177.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.51 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.0 m -59.91 -44.6 94.19 Favored 'General case' 0 C--N 1.296 -1.753 0 CA-C-N 115.465 -0.788 . . . . 0.0 111.32 -175.215 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.467 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 34.9 mp0 -99.35 -17.02 18.23 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.033 -1.042 . . . . 0.0 111.889 -177.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.712 HD13 HD23 ' B' ' 45' ' ' LEU . 77.7 mt -135.3 52.13 2.04 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 121.026 -1.047 . . . . 0.0 110.743 -178.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.54 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 61.9 m -62.17 -45.2 94.47 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.952 -1.092 . . . . 0.0 110.118 179.734 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 73.4 m -66.15 -39.91 90.16 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.283 -0.885 . . . . 0.0 111.531 -178.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.535 ' O ' ' C ' ' B' ' 45' ' ' LEU . 4.7 t80 -92.19 -91.99 0.16 Allowed 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.954 -1.091 . . . . 0.0 112.865 -177.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.712 HD23 HD13 ' B' ' 41' ' ' LEU . 3.4 mm? -31.35 146.12 0.01 OUTLIER 'General case' 0 N--CA 1.52 3.03 0 CA-C-O 117.384 -1.294 . . . . 0.0 109.02 -174.292 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.467 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 18.1 p-10 -88.99 123.25 33.14 Favored 'General case' 0 N--CA 1.507 2.421 0 CA-C-N 124.5 3.318 . . . . 0.0 109.921 179.206 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.428 HG12 ' N ' ' B' ' 48' ' ' GLN . 59.8 t -151.69 -94.16 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 120.788 -1.195 . . . . 0.0 110.793 179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.428 ' N ' HG12 ' B' ' 47' ' ' VAL . 27.1 mt-30 -60.1 -40.11 88.5 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.318 -0.864 . . . . 0.0 112.492 -177.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.69 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -63.73 -17.4 62.98 Favored 'General case' 0 C--N 1.297 -1.702 0 N-CA-C 107.349 -1.352 . . . . 0.0 107.349 -179.916 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 63.4 t0 -148.14 91.45 1.92 Allowed 'General case' 0 C--N 1.299 -1.618 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.04 76.11 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 -179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.479 ' CG ' ' NZ ' ' B' ' 56' ' ' LYS . 18.3 t0 -56.56 -38.58 72.11 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.601 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.94 -42.79 98.88 Favored 'General case' 0 C--N 1.301 -1.537 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.074 -176.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -57.09 -33.42 42.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.217 -1.552 . . . . 0.0 108.327 -179.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 81.6 m-20 -69.07 -39.74 78.92 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.416 -0.803 . . . . 0.0 110.693 -179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.479 ' NZ ' ' CG ' ' B' ' 52' ' ' ASP . 59.6 mttp -68.69 -40.0 80.29 Favored 'General case' 0 N--CA 1.498 1.935 0 O-C-N 121.051 -1.031 . . . . 0.0 110.744 -178.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 1.5 mp -68.85 -55.59 15.13 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.609 0 O-C-N 121.375 -0.828 . . . . 0.0 109.634 -179.796 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.502 ' O ' ' N ' ' B' ' 62' ' ' ASP . 1.5 ttt -59.98 -36.85 78.05 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.468 -0.77 . . . . 0.0 109.939 -179.574 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 13.2 ttpt -59.73 -44.63 93.67 Favored 'General case' 0 C--N 1.291 -1.955 0 N-CA-C 106.994 -1.484 . . . . 0.0 106.994 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 72.6 mm-40 -62.13 -23.8 66.77 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 178.441 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.48 ' C ' ' H ' ' B' ' 63' ' ' GLU . 33.7 mt -92.48 -27.72 17.27 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.451 -0.78 . . . . 0.0 109.453 179.013 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.502 ' N ' ' O ' ' B' ' 58' ' ' MET . 89.7 m-20 -72.28 49.11 0.19 Allowed 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 107.092 -1.447 . . . . 0.0 107.092 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' B' ' 61' ' ' LEU . 44.1 mt-10 -60.05 -42.23 94.04 Favored 'General case' 0 C--N 1.304 -1.402 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -178.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 6.2 m120 -74.43 -20.85 59.89 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 178.215 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.12 39.94 21.96 Favored Glycine 0 N--CA 1.485 1.947 0 N-CA-C 107.774 -2.13 . . . . 0.0 107.774 -178.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 40.4 p-10 -97.09 -7.6 32.3 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 121.508 -0.995 . . . . 0.0 112.336 -176.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 75.24 7.61 82.44 Favored Glycine 0 N--CA 1.501 3.007 0 O-C-N 120.705 -1.247 . . . . 0.0 110.054 -179.614 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 93.5 mt-10 -131.89 176.01 8.72 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 106.669 -1.604 . . . . 0.0 106.669 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.1 t -129.05 130.29 68.19 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.315 0 O-C-N 120.639 -1.288 . . . . 0.0 109.067 179.338 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.419 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 38.4 t0 -93.71 167.74 11.46 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.209 -0.932 . . . . 0.0 108.789 179.727 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.419 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 1.0 OUTLIER -59.66 -37.42 78.69 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 121.569 -0.707 . . . . 0.0 109.313 -178.254 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.608 ' O ' HG23 ' B' ' 76' ' ' VAL . 58.7 tt0 -69.93 -24.4 63.35 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.007 -1.058 . . . . 0.0 109.172 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 74.4 mt-10 -85.47 -51.05 6.79 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.818 0.818 . . . . 0.0 110.123 -179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.643 ' CE2' ' CZ ' ' B' ' 15' ' ' PHE . 1.3 t80 -62.9 -46.86 85.85 Favored 'General case' 0 N--CA 1.49 1.527 0 CA-C-O 121.792 0.806 . . . . 0.0 111.236 -178.678 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.665 HG12 ' HB1' ' A' ' 79' ' ' ALA . 55.0 t -59.93 -38.74 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.902 0 O-C-N 121.104 -0.998 . . . . 0.0 110.667 -179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.608 HG23 ' O ' ' B' ' 72' ' ' GLN . 56.1 t -57.67 -39.87 72.38 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.751 0 C-N-CA 118.961 -1.095 . . . . 0.0 109.139 179.232 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.709 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.1 tm? -60.19 -51.81 67.99 Favored 'General case' 0 N--CA 1.507 2.408 0 O-C-N 121.205 -0.935 . . . . 0.0 112.349 -178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 15.5 m -62.78 -29.38 46.91 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.281 0 O-C-N 120.605 -1.309 . . . . 0.0 109.695 -179.119 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.695 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -71.44 -34.87 70.66 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.326 -0.859 . . . . 0.0 110.084 179.252 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.546 ' HB3' HD11 ' Y' ' 11' ' ' LEU . . . -86.66 -20.92 27.09 Favored 'General case' 0 N--CA 1.491 1.61 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -176.439 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 1.107 HD13 ' N ' ' B' ' 82' ' ' THR . 0.0 OUTLIER -81.98 -31.35 31.17 Favored 'General case' 0 N--CA 1.51 2.554 0 O-C-N 119.388 -2.07 . . . . 0.0 108.348 179.891 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 1.107 ' N ' HD13 ' B' ' 81' ' ' LEU . 3.6 t -72.13 -42.57 65.86 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 120.982 -1.074 . . . . 0.0 110.944 179.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.655 HG13 ' O ' ' B' ' 79' ' ' ALA . 18.1 m -60.16 -45.05 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.755 0 O-C-N 120.966 -1.084 . . . . 0.0 109.116 178.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.606 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -67.54 -29.4 68.78 Favored 'General case' 0 C--N 1.299 -1.62 0 CA-C-O 121.465 0.65 . . . . 0.0 109.306 -179.493 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -64.39 -39.91 94.79 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.456 -0.778 . . . . 0.0 109.136 178.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -61.01 -32.89 72.47 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.39 -0.819 . . . . 0.0 109.343 179.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.5 t30 -59.84 -39.6 85.71 Favored 'General case' 0 N--CA 1.487 1.42 0 O-C-N 121.256 -0.903 . . . . 0.0 108.925 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -84.49 -6.9 59.41 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.924 -1.11 . . . . 0.0 109.983 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -73.06 -35.46 66.7 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.901 -1.124 . . . . 0.0 109.021 179.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 70.1 t-105 -86.13 -3.33 58.93 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.784 -0.572 . . . . 0.0 110.868 -178.426 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -59.7 -39.94 86.28 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.725 -1.235 . . . . 0.0 109.644 -179.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 30.2 m120 -96.72 -0.0 48.91 Favored 'General case' 0 N--CA 1.498 1.97 0 O-C-N 121.174 -0.954 . . . . 0.0 109.639 -179.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 52.3 m . . . . . 0 N--CA 1.493 1.705 0 CA-C-O 117.995 -1.003 . . . . 0.0 109.156 -179.63 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 26.7 m . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.384 0.611 . . . . 0.0 109.804 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.576 ' O ' ' N ' ' X' ' 4' ' ' LYS . 39.1 mmt180 -71.64 152.41 42.88 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.481 -1.303 . . . . 0.0 107.481 179.004 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . 0.448 HG22 ' H ' ' X' ' 3' ' ' THR . 0.0 OUTLIER -61.88 72.97 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.744 0 O-C-N 120.813 -1.179 . . . . 0.0 109.671 -179.301 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.576 ' N ' ' O ' ' X' ' 2' ' ' ARG . 4.6 tppt? -147.25 115.79 6.71 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.243 -0.91 . . . . 0.0 109.11 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.45 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 3.4 pt -143.14 128.22 15.66 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.888 0 O-C-N 121.349 -0.844 . . . . 0.0 108.869 -179.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 24.5 p-10 -109.93 17.72 20.84 Favored 'General case' 0 N--CA 1.507 2.38 0 O-C-N 121.034 -1.041 . . . . 0.0 109.342 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.582 ' O ' HG22 ' X' ' 10' ' ' ILE . 62.1 t90 -59.88 -47.52 85.43 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.215 -0.928 . . . . 0.0 110.172 -179.202 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.854 ' ND2' HD11 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -50.76 -33.36 22.87 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 119.893 -1.754 . . . . 0.0 109.116 179.835 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 64.6 tttm -59.92 -25.28 65.01 Favored 'General case' 0 N--CA 1.485 1.277 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 178.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.582 HG22 ' O ' ' X' ' 7' ' ' TRP . 9.8 tt -50.77 -43.22 24.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.683 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 178.591 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.51 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.4 tp -71.04 -41.13 71.2 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 119.061 -1.055 . . . . 0.0 109.08 178.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.448 ' O ' ' O ' ' X' ' 11' ' ' LEU . 3.1 t . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.161 -0.923 . . . . 0.0 109.649 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . 0.488 ' H2 ' ' HZ2' ' Y' ' 4' ' ' LYS . 3.8 m . . . . . 0 N--CA 1.489 1.496 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.485 ' O ' ' OG1' ' Y' ' 3' ' ' THR . 77.4 mtm180 -75.32 175.35 8.46 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.271 -0.893 . . . . 0.0 110.502 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' Y' ' 2' ' ' ARG . 13.6 p 65.65 69.53 0.46 Allowed 'General case' 0 N--CA 1.497 1.879 0 CA-C-O 121.503 0.668 . . . . 0.0 110.549 179.67 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.488 ' HZ2' ' H2 ' ' Y' ' 1' ' ' THR . 98.0 mttt -146.19 155.55 42.78 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 179.371 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.409 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 3.9 pt -111.81 125.57 69.12 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.364 -0.835 . . . . 0.0 109.065 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 77.8 m-20 -108.78 16.99 22.34 Favored 'General case' 0 N--CA 1.498 1.963 0 CA-C-O 121.901 0.857 . . . . 0.0 108.79 -179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.625 ' O ' HG22 ' Y' ' 10' ' ' ILE . 56.4 t90 -59.89 -49.95 75.67 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.351 -0.843 . . . . 0.0 110.585 -179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.776 ' ND2' HD11 ' B' ' 57' ' ' ILE . 1.0 OUTLIER -52.07 -31.23 29.43 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 119.622 -1.923 . . . . 0.0 108.987 -179.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -59.94 -23.89 63.92 Favored 'General case' 0 C--N 1.306 -1.286 0 N-CA-C 106.21 -1.774 . . . . 0.0 106.21 178.084 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.625 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.96 -37.38 33.74 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.626 0 N-CA-C 106.706 -1.591 . . . . 0.0 106.706 177.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.599 ' O ' HD23 ' Y' ' 11' ' ' LEU . 3.0 tt -60.08 -49.78 76.29 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 178.688 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 118.013 -0.994 . . . . 0.0 109.588 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.93 0 N-CA-C 120.046 2.778 . . . . 0.0 120.046 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 m -86.93 36.34 0.72 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.474 -1.016 . . . . 0.0 110.126 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -60.28 -42.61 95.81 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.06 -1.025 . . . . 0.0 110.974 -179.488 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.481 ' N ' ' OE1' ' B' ' 40' ' ' GLU . 58.5 tp -62.33 -42.31 99.28 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.6 -1.312 . . . . 0.0 109.79 -179.101 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -60.66 -38.62 85.49 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.119 -0.988 . . . . 0.0 109.238 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.437 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.5 m -48.75 -45.75 40.14 Favored 'General case' 0 C--N 1.299 -1.615 0 CA-C-O 122.072 0.939 . . . . 0.0 110.213 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.98 -28.61 64.56 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 114.35 1.241 . . . . 0.0 114.35 -177.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.2 ttt -70.31 -52.15 24.96 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 120.057 -1.652 . . . . 0.0 110.916 -177.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.54 -29.49 70.12 Favored 'General case' 0 C--N 1.289 -2.022 0 O-C-N 121.623 -0.673 . . . . 0.0 110.303 -178.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.52 -58.65 6.84 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.128 -0.983 . . . . 0.0 110.239 -179.218 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 10.9 mp -52.46 -40.06 61.85 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.384 -1.448 . . . . 0.0 110.047 -179.646 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.0 mt -64.54 -39.44 85.6 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.938 0 O-C-N 120.996 -1.065 . . . . 0.0 112.0 -179.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 13.3 t-20 -79.02 -44.76 21.6 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.042 -1.661 . . . . 0.0 112.451 -178.034 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.48 HG13 ' N ' ' A' ' 15' ' ' PHE . 7.9 p -59.93 -40.65 83.51 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 120.825 -1.172 . . . . 0.0 109.145 -179.007 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.563 ' CZ ' HD13 ' A' ' 28' ' ' LEU . 40.8 t80 -62.52 -40.4 96.61 Favored 'General case' 0 C--N 1.293 -1.876 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.711 -179.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 75.1 t60 -70.0 -27.25 64.54 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 120.493 -1.379 . . . . 0.0 109.718 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.9 -55.67 31.5 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.416 -0.802 . . . . 0.0 112.465 -179.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.892 ' NE2' HD11 ' A' ' 28' ' ' LEU . 7.8 p-80 -86.66 -38.83 16.66 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.278 -0.889 . . . . 0.0 111.32 -178.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.457 ' N ' ' CG ' ' A' ' 18' ' ' HIS . 46.7 m -54.16 -29.09 44.3 Favored 'General case' 0 C--N 1.295 -1.778 0 O-C-N 121.434 -0.791 . . . . 0.0 112.372 -178.723 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.56 11.04 25.86 Favored Glycine 0 N--CA 1.507 3.389 0 O-C-N 120.87 -1.144 . . . . 0.0 112.574 -177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 84.3 mttt -114.82 -73.49 0.65 Allowed 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 119.361 1.58 . . . . 0.0 108.884 179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -87.69 76.46 8.84 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.176 -1.046 . . . . 0.0 108.176 179.297 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.45 -153.85 25.15 Favored Glycine 0 N--CA 1.488 2.112 0 C-N-CA 119.487 -1.339 . . . . 0.0 111.065 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -75.47 157.24 34.31 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.678 0.752 . . . . 0.0 110.239 -179.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.43 ' CD ' ' H ' ' A' ' 25' ' ' LYS . 0.4 OUTLIER -56.05 -50.74 70.13 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.591 -0.693 . . . . 0.0 111.994 -177.244 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.473 ' O ' ' CD2' ' A' ' 26' ' ' TYR . 41.5 t80 -134.69 37.67 3.08 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.556 -1.34 . . . . 0.0 111.222 -177.843 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -139.86 142.82 36.54 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.906 -1.121 . . . . 0.0 108.675 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.892 HD11 ' NE2' ' A' ' 18' ' ' HIS . 4.1 tp -92.51 150.24 20.88 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 107.253 -1.388 . . . . 0.0 107.253 179.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.493 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 59.9 m -129.65 166.7 19.26 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 120.909 -1.12 . . . . 0.0 108.294 -179.901 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -46.44 -32.77 3.49 Favored 'General case' 0 N--CA 1.5 2.067 0 C-N-CA 119.162 -1.015 . . . . 0.0 109.628 178.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -82.85 -38.39 23.06 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.757 -1.215 . . . . 0.0 111.232 179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.493 ' HB2' ' H ' ' A' ' 29' ' ' SER . 34.4 mt-10 -70.03 -39.94 75.48 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 120.119 -1.613 . . . . 0.0 109.798 -179.308 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.753 HD12 ' N ' ' A' ' 34' ' ' LYS . 1.7 pp -59.37 -52.17 66.76 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 120.472 -1.392 . . . . 0.0 110.507 -179.747 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.753 ' N ' HD12 ' A' ' 33' ' ' LEU . 78.2 tttt -60.12 -40.15 88.74 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.746 -1.221 . . . . 0.0 112.369 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 51.1 t0 -62.38 -40.73 97.4 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.017 -1.052 . . . . 0.0 110.589 -178.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 HD22 ' CE1' ' A' ' 18' ' ' HIS . 44.7 tp -59.99 -49.6 77.04 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.724 -0.61 . . . . 0.0 111.893 -177.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.837 HD12 HD22 ' A' ' 45' ' ' LEU . 4.0 mm? -70.3 -40.41 74.27 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.912 -1.118 . . . . 0.0 112.884 -177.52 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.55 -23.09 59.93 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.17 -0.956 . . . . 0.0 112.619 -177.533 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 50.7 m -59.59 -45.44 91.87 Favored 'General case' 0 C--N 1.296 -1.746 0 C-N-CA 117.969 -1.492 . . . . 0.0 108.809 -177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.483 ' C ' HD12 ' A' ' 41' ' ' LEU . 60.2 mt-10 -107.01 -39.54 5.72 Favored 'General case' 0 N--CA 1.5 2.05 0 O-C-N 121.46 -0.775 . . . . 0.0 111.361 -177.768 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.672 ' N ' HD12 ' A' ' 41' ' ' LEU . 8.1 mp -99.47 42.58 1.1 Allowed 'General case' 0 N--CA 1.5 2.075 0 O-C-N 120.904 -1.122 . . . . 0.0 108.782 -179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.401 ' OG ' ' OE1' ' A' ' 48' ' ' GLN . 0.3 OUTLIER -60.07 -45.24 93.55 Favored 'General case' 0 C--N 1.302 -1.462 0 CA-C-O 121.499 0.666 . . . . 0.0 109.982 179.922 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 30.0 t -85.03 -20.07 31.02 Favored 'General case' 0 C--N 1.3 -1.586 0 O-C-N 121.474 -0.766 . . . . 0.0 111.873 -178.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.68 ' CG ' ' N ' ' A' ' 45' ' ' LEU . 1.9 t80 -89.0 -105.09 0.09 Allowed 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.491 -1.381 . . . . 0.0 111.483 -177.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.837 HD22 HD12 ' A' ' 37' ' ' LEU . 1.4 tp -13.08 150.78 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.93 0 CA-C-O 117.435 -1.269 . . . . 0.0 110.24 176.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.45 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 33.5 t0 -93.75 103.69 15.81 Favored 'General case' 0 N--CA 1.512 2.655 0 CA-C-N 124.271 3.214 . . . . 0.0 109.089 174.279 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.495 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 0.8 OUTLIER -142.39 -56.32 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.511 2.618 0 O-C-N 120.348 -1.47 . . . . 0.0 110.212 179.123 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.495 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 14.5 pt20 -81.55 -35.93 29.7 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.776 -1.202 . . . . 0.0 109.727 -179.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.644 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -68.37 -22.57 64.65 Favored 'General case' 0 N--CA 1.491 1.593 0 N-CA-C 106.518 -1.66 . . . . 0.0 106.518 178.09 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' OD2' ' OD2' ' A' ' 46' ' ' ASP . 76.9 m-20 -141.65 91.95 2.41 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 177.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.54 -33.52 69.98 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 179.619 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.86 -38.57 82.5 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 107.883 -1.154 . . . . 0.0 107.883 177.206 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -58.59 -37.75 76.46 Favored 'General case' 0 C--N 1.297 -1.714 0 C-N-CA 118.44 -1.304 . . . . 0.0 108.826 -177.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.0 -39.35 79.99 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.885 0 O-C-N 120.484 -1.385 . . . . 0.0 107.934 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 85.0 m-20 -61.1 -39.97 91.95 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.257 -0.902 . . . . 0.0 110.658 -179.804 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 70.2 mmtt -64.76 -40.04 94.62 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.514 -1.366 . . . . 0.0 109.425 -179.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.854 HD11 ' ND2' ' X' ' 8' ' ' ASN . 49.2 mt -70.95 -51.3 36.64 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.534 0.683 . . . . 0.0 111.699 -178.466 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.447 ' O ' ' N ' ' A' ' 62' ' ' ASP . 3.1 tpt -60.27 -42.76 96.07 Favored 'General case' 0 C--N 1.294 -1.831 0 O-C-N 121.057 -1.027 . . . . 0.0 110.041 -179.812 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 -43.51 98.72 Favored 'General case' 0 C--N 1.291 -1.964 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 179.329 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -60.09 -28.41 67.8 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 178.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.495 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.8 mt -94.76 -20.02 19.86 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.553 -0.717 . . . . 0.0 110.73 -179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 58' ' ' MET . 95.2 m-20 -74.28 41.87 0.15 Allowed 'General case' 0 C--N 1.301 -1.517 0 O-C-N 120.648 -1.282 . . . . 0.0 107.998 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.495 ' H ' ' C ' ' A' ' 61' ' ' LEU . 100.0 mt-10 -59.76 -40.38 87.98 Favored 'General case' 0 C--N 1.303 -1.444 0 C-N-CA 119.564 -0.854 . . . . 0.0 108.849 -178.598 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.1 m-20 -72.88 -19.42 61.29 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.583 -1.636 . . . . 0.0 106.583 178.197 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.68 32.44 64.23 Favored Glycine 0 N--CA 1.488 2.106 0 N-CA-C 108.604 -1.798 . . . . 0.0 108.604 -179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 44.4 p-10 -93.43 -6.43 47.06 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.439 -1.036 . . . . 0.0 111.894 -177.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.99 5.84 66.31 Favored Glycine 0 N--CA 1.499 2.862 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -126.86 175.48 8.01 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 106.123 -1.806 . . . . 0.0 106.123 179.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.519 ' HB ' HD23 ' A' ' 28' ' ' LEU . 5.7 t -135.44 130.47 50.56 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.406 0 O-C-N 120.422 -1.424 . . . . 0.0 109.104 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.548 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 0.9 OUTLIER -97.73 155.62 16.93 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.693 -1.254 . . . . 0.0 108.867 -179.66 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 24.5 t80 -52.51 -22.77 5.22 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.534 -0.729 . . . . 0.0 109.449 -179.132 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.505 ' O ' HG23 ' A' ' 76' ' ' VAL . 61.7 tt0 -80.69 -22.5 40.33 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.196 -0.94 . . . . 0.0 109.843 179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.405 ' O ' HD22 ' A' ' 61' ' ' LEU . 76.3 mt-10 -80.8 -52.03 7.96 Favored 'General case' 0 C--N 1.309 -1.194 0 O-C-N 121.49 -0.756 . . . . 0.0 109.552 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.85 -40.96 45.93 Favored 'General case' 0 C--N 1.3 -1.587 0 C-N-CA 119.319 -0.953 . . . . 0.0 111.558 -178.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.56 HG12 ' HB1' ' B' ' 79' ' ' ALA . 58.9 t -53.94 -38.97 38.6 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 119.995 -1.691 . . . . 0.0 108.032 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.505 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -59.99 -37.15 71.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 N-CA-C 107.892 -1.151 . . . . 0.0 107.892 177.034 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.543 ' O ' ' N ' ' A' ' 80' ' ' ALA . 0.5 OUTLIER -69.98 -55.97 8.22 Favored 'General case' 0 N--CA 1.498 1.95 0 N-CA-C 114.22 1.193 . . . . 0.0 114.22 -177.063 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.768 ' O ' HG22 ' A' ' 82' ' ' THR . 16.3 m -49.85 -36.39 11.44 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.279 0 O-C-N 120.513 -1.367 . . . . 0.0 107.725 -179.435 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.599 ' O ' HG13 ' A' ' 83' ' ' VAL . . . -63.3 -38.38 90.95 Favored 'General case' 0 C--N 1.284 -2.264 0 N-CA-C 107.816 -1.179 . . . . 0.0 107.816 176.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.543 ' N ' ' O ' ' A' ' 77' ' ' LEU . . . -78.66 -24.25 45.26 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 113.55 0.944 . . . . 0.0 113.55 -177.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.544 HD13 HD11 ' A' ' 45' ' ' LEU . 82.1 mt -85.83 -46.36 10.71 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 119.513 -1.992 . . . . 0.0 109.429 -178.649 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.768 HG22 ' O ' ' A' ' 78' ' ' VAL . 4.8 t -57.49 -42.02 81.84 Favored 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.331 -0.856 . . . . 0.0 111.069 178.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.599 HG13 ' O ' ' A' ' 79' ' ' ALA . 31.0 m -60.05 -42.81 91.08 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.86 0 O-C-N 120.58 -1.325 . . . . 0.0 108.717 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.589 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.56 -31.03 70.16 Favored 'General case' 0 N--CA 1.489 1.505 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 179.536 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.05 -39.65 82.97 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.51 -0.744 . . . . 0.0 109.993 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.441 ' ND2' ' OH ' ' B' ' 26' ' ' TYR . 57.9 t-20 -60.16 -39.5 86.61 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.093 -1.005 . . . . 0.0 108.804 -179.44 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 18.0 t-20 -60.25 -39.77 87.89 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.064 -1.022 . . . . 0.0 109.456 178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.44 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 61.1 t80 -83.17 -4.45 58.4 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.417 -0.802 . . . . 0.0 109.647 -179.579 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.535 ' CE2' ' ND2' ' A' ' 92' ' ' ASN . 61.1 t80 -80.76 -9.01 59.84 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.182 -0.949 . . . . 0.0 109.127 179.301 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -62.52 -7.66 5.0 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.318 -0.864 . . . . 0.0 109.73 -179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -60.13 -18.9 50.71 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.197 -0.939 . . . . 0.0 109.374 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.535 ' ND2' ' CE2' ' A' ' 89' ' ' PHE . 37.9 p-10 -90.07 0.32 57.2 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.363 -0.835 . . . . 0.0 109.829 179.753 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.49 1.549 0 O-C-N 121.053 -1.03 . . . . 0.0 109.4 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.785 0 N-CA-C 119.987 2.755 . . . . 0.0 119.987 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.4 m -87.52 36.11 0.74 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.703 -0.881 . . . . 0.0 109.764 179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.2 mm-40 -60.27 -42.35 95.22 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.194 -0.942 . . . . 0.0 110.932 -179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.483 ' N ' ' OE1' ' A' ' 40' ' ' GLU . 59.9 tp -62.9 -41.95 99.61 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.65 -1.281 . . . . 0.0 109.716 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.7 tt0 -60.38 -39.14 86.21 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 121.142 -0.974 . . . . 0.0 109.315 179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 18.0 m -48.45 -45.82 37.0 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-O 122.027 0.918 . . . . 0.0 110.198 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.44 -29.13 65.63 Favored 'General case' 0 N--CA 1.494 1.748 0 N-CA-C 114.452 1.278 . . . . 0.0 114.452 -177.397 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.5 ttt -70.73 -51.8 25.02 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.085 -1.635 . . . . 0.0 110.968 -176.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -65.94 -28.43 68.91 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 121.545 -0.722 . . . . 0.0 110.302 -178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -63.34 -58.51 6.88 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.066 -1.021 . . . . 0.0 110.151 -179.256 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 11.0 mp -52.46 -39.79 61.51 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 120.38 -1.45 . . . . 0.0 109.969 -179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.4 mt -64.8 -39.89 87.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 O-C-N 120.949 -1.095 . . . . 0.0 112.131 -179.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 13.4 t-20 -78.97 -44.11 23.09 Favored 'General case' 0 N--CA 1.506 2.354 0 O-C-N 120.054 -1.654 . . . . 0.0 112.46 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.476 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.9 p -60.7 -40.17 83.96 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.801 -1.187 . . . . 0.0 108.889 -178.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.588 ' CZ ' HD13 ' B' ' 28' ' ' LEU . 42.4 t80 -62.65 -40.15 96.12 Favored 'General case' 0 C--N 1.294 -1.833 0 CA-C-N 115.757 -0.656 . . . . 0.0 110.705 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -70.09 -27.76 64.86 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.447 -1.408 . . . . 0.0 109.695 179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.54 -55.7 30.49 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.37 -0.832 . . . . 0.0 112.544 -178.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.914 ' NE2' HD11 ' B' ' 28' ' ' LEU . 7.8 p-80 -86.46 -39.01 16.73 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 121.33 -0.856 . . . . 0.0 111.339 -178.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.456 ' N ' ' CG ' ' B' ' 18' ' ' HIS . 45.7 m -54.03 -29.29 43.17 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.382 -0.824 . . . . 0.0 112.632 -178.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.63 11.26 25.67 Favored Glycine 0 N--CA 1.508 3.454 0 O-C-N 120.875 -1.141 . . . . 0.0 112.42 -177.387 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -115.01 -73.38 0.65 Allowed 'General case' 0 N--CA 1.507 2.399 0 CA-C-N 119.352 1.576 . . . . 0.0 108.931 179.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -87.75 75.81 8.89 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.016 -1.053 . . . . 0.0 108.234 179.099 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 153.56 -153.77 25.06 Favored Glycine 0 N--CA 1.487 2.042 0 C-N-CA 119.45 -1.357 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -75.94 157.49 33.12 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.877 -0.778 . . . . 0.0 110.248 -179.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' CD ' ' H ' ' B' ' 25' ' ' LYS . 0.4 OUTLIER -55.86 -50.79 69.64 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.646 -0.659 . . . . 0.0 112.0 -177.287 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.488 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 42.8 t80 -134.67 37.34 3.09 Favored 'General case' 0 N--CA 1.508 2.451 0 O-C-N 120.44 -1.412 . . . . 0.0 111.242 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.428 ' HZ2' ' H ' ' B' ' 28' ' ' LEU . 1.0 OUTLIER -139.52 142.84 37.24 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.01 -1.056 . . . . 0.0 108.717 179.174 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.914 HD11 ' NE2' ' B' ' 18' ' ' HIS . 4.1 tp -92.4 150.25 20.92 Favored 'General case' 0 C--N 1.294 -1.831 0 N-CA-C 107.125 -1.435 . . . . 0.0 107.125 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.48 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 51.2 m -129.7 166.69 19.3 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 120.977 -1.077 . . . . 0.0 108.256 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 45.3 tptt -46.45 -33.0 3.63 Favored 'General case' 0 N--CA 1.501 2.125 0 O-C-N 121.067 -1.021 . . . . 0.0 109.567 178.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -82.95 -38.01 23.33 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.671 -1.268 . . . . 0.0 111.161 179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' B' ' 29' ' ' SER . 33.6 mt-10 -70.21 -39.71 74.97 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 119.946 -1.721 . . . . 0.0 109.791 -179.331 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.773 HD12 ' N ' ' B' ' 34' ' ' LYS . 1.7 pp -59.56 -51.72 68.61 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 120.53 -1.356 . . . . 0.0 110.262 -179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.773 ' N ' HD12 ' B' ' 33' ' ' LEU . 76.3 tttt -60.32 -40.38 90.37 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.875 -1.141 . . . . 0.0 112.367 -178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.42 ' OD1' ' O ' ' B' ' 35' ' ' ASP . 51.5 t0 -62.44 -40.45 96.63 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.996 -1.065 . . . . 0.0 110.676 -178.016 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.421 HD22 ' CE1' ' B' ' 18' ' ' HIS . 44.5 tp -60.4 -49.56 77.09 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.673 -0.642 . . . . 0.0 111.678 -177.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.744 HD12 HD22 ' B' ' 45' ' ' LEU . 4.0 mm? -70.25 -40.87 74.16 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.855 -1.153 . . . . 0.0 112.821 -177.458 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -73.1 -22.87 60.48 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.024 -1.048 . . . . 0.0 112.651 -177.594 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 56.2 m -59.62 -45.76 90.98 Favored 'General case' 0 C--N 1.297 -1.675 0 C-N-CA 117.914 -1.514 . . . . 0.0 108.712 -177.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.5 ' C ' HD12 ' B' ' 41' ' ' LEU . 61.7 mt-10 -106.96 -38.72 5.96 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.283 -0.886 . . . . 0.0 111.407 -177.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.665 HD12 ' N ' ' B' ' 41' ' ' LEU . 8.2 mp -99.84 42.43 1.11 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 120.869 -1.144 . . . . 0.0 108.801 -179.791 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.407 ' OG ' ' OE1' ' B' ' 48' ' ' GLN . 0.3 OUTLIER -60.02 -45.22 93.5 Favored 'General case' 0 C--N 1.302 -1.49 0 CA-C-O 121.458 0.647 . . . . 0.0 109.937 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 28.3 t -85.16 -19.5 31.68 Favored 'General case' 0 C--N 1.298 -1.644 0 O-C-N 121.474 -0.766 . . . . 0.0 111.863 -178.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.554 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 1.9 t80 -89.72 -92.16 0.13 Allowed 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.469 -1.395 . . . . 0.0 113.318 -176.787 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.744 HD22 HD12 ' B' ' 37' ' ' LEU . 2.0 tp -36.91 157.4 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.405 0 N-CA-C 108.502 -0.925 . . . . 0.0 108.502 -175.403 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.409 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 33.2 t0 -93.54 102.84 15.05 Favored 'General case' 0 N--CA 1.5 2.064 0 CA-C-N 122.437 2.38 . . . . 0.0 108.888 177.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.462 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 0.8 OUTLIER -142.68 -55.2 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.412 0 O-C-N 120.586 -1.321 . . . . 0.0 110.065 179.249 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.462 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 14.3 pt20 -82.22 -35.92 27.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.764 -1.21 . . . . 0.0 109.772 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.644 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -68.92 -22.27 64.16 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 106.622 -1.622 . . . . 0.0 106.622 178.091 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.405 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 76.9 m-20 -141.42 91.91 2.42 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 108.161 -1.051 . . . . 0.0 108.161 177.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.46 -33.87 70.22 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 107.393 -1.336 . . . . 0.0 107.393 179.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.1 m-20 -59.95 -38.71 83.23 Favored 'General case' 0 C--N 1.302 -1.493 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 177.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.78 -39.27 77.09 Favored 'General case' 0 C--N 1.297 -1.686 0 C-N-CA 118.368 -1.333 . . . . 0.0 108.64 -177.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.39 -38.9 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 O-C-N 120.318 -1.488 . . . . 0.0 107.96 179.23 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -61.3 -40.14 93.06 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.329 -0.857 . . . . 0.0 110.793 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -64.49 -40.06 94.96 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.436 -1.415 . . . . 0.0 109.477 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.776 HD11 ' ND2' ' Y' ' 8' ' ' ASN . 41.5 mt -70.8 -51.24 37.85 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.713 0 CA-C-O 121.461 0.648 . . . . 0.0 111.789 -178.509 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.421 ' O ' ' N ' ' B' ' 62' ' ' ASP . 3.0 tpt -60.65 -42.37 96.86 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 121.042 -1.036 . . . . 0.0 109.976 -179.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.7 -43.38 98.97 Favored 'General case' 0 C--N 1.292 -1.894 0 N-CA-C 107.436 -1.32 . . . . 0.0 107.436 179.398 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 54.5 tp10 -60.95 -26.43 67.52 Favored 'General case' 0 C--N 1.297 -1.686 0 N-CA-C 108.353 -0.98 . . . . 0.0 108.353 178.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' B' ' 63' ' ' GLU . 42.6 mt -96.27 -20.19 18.72 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.59 -0.694 . . . . 0.0 110.488 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.421 ' N ' ' O ' ' B' ' 58' ' ' MET . 94.5 m-20 -74.31 42.1 0.15 Allowed 'General case' 0 C--N 1.302 -1.486 0 O-C-N 120.78 -1.2 . . . . 0.0 108.058 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' B' ' 61' ' ' LEU . 99.0 mt-10 -60.07 -40.08 88.29 Favored 'General case' 0 C--N 1.302 -1.479 0 C-N-CA 119.472 -0.891 . . . . 0.0 108.8 -178.686 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.94 -19.17 61.3 Favored 'General case' 0 C--N 1.297 -1.681 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 71.59 32.38 64.53 Favored Glycine 0 N--CA 1.487 2.094 0 N-CA-C 108.649 -1.78 . . . . 0.0 108.649 -179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -93.91 -6.35 45.81 Favored 'General case' 0 N--CA 1.503 2.221 0 O-C-N 121.345 -1.091 . . . . 0.0 111.92 -177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 72.55 6.56 66.54 Favored Glycine 0 N--CA 1.5 2.904 0 N-CA-C 109.77 -1.332 . . . . 0.0 109.77 -179.437 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -127.0 175.13 8.33 Favored 'General case' 0 N--CA 1.489 1.519 0 N-CA-C 106.019 -1.845 . . . . 0.0 106.019 179.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.505 ' HB ' HD23 ' B' ' 28' ' ' LEU . 5.3 t -134.96 130.75 52.48 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.379 0 O-C-N 120.258 -1.526 . . . . 0.0 109.064 179.756 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.535 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 0.9 OUTLIER -97.82 155.7 16.93 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.677 -1.264 . . . . 0.0 108.735 -179.655 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.531 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 26.5 t80 -52.65 -22.74 5.43 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.563 -0.711 . . . . 0.0 109.304 -179.039 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.459 ' O ' HG23 ' B' ' 76' ' ' VAL . 61.7 tt0 -80.64 -22.52 40.45 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.911 . . . . 0.0 109.865 179.066 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.415 ' O ' HD22 ' B' ' 61' ' ' LEU . 77.9 mt-10 -81.11 -51.33 8.58 Favored 'General case' 0 C--N 1.307 -1.258 0 O-C-N 121.288 -0.882 . . . . 0.0 109.626 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' B' ' 77' ' ' LEU . 0.2 OUTLIER -76.94 -41.68 42.35 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.279 -0.969 . . . . 0.0 111.343 -178.856 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.562 HG12 ' HB1' ' A' ' 79' ' ' ALA . 78.4 t -53.83 -38.67 36.71 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.764 0 O-C-N 120.041 -1.662 . . . . 0.0 108.104 -179.12 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.459 HG23 ' O ' ' B' ' 72' ' ' GLN . 55.9 t -60.05 -37.28 72.11 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 107.895 -1.15 . . . . 0.0 107.895 176.667 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' B' ' 80' ' ' ALA . 0.5 OUTLIER -69.96 -55.97 8.24 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 114.417 1.266 . . . . 0.0 114.417 -177.182 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.724 ' O ' HG22 ' B' ' 82' ' ' THR . 17.3 m -49.95 -35.54 10.95 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.227 0 O-C-N 120.602 -1.311 . . . . 0.0 107.607 -179.363 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.58 ' O ' HG13 ' B' ' 83' ' ' VAL . . . -63.17 -39.58 95.07 Favored 'General case' 0 C--N 1.285 -2.211 0 N-CA-C 107.675 -1.232 . . . . 0.0 107.675 176.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' B' ' 77' ' ' LEU . . . -78.11 -24.29 47.57 Favored 'General case' 0 C--N 1.301 -1.504 0 N-CA-C 113.676 0.991 . . . . 0.0 113.676 -177.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.502 HD13 HD11 ' B' ' 45' ' ' LEU . 81.0 mt -85.54 -47.12 10.19 Favored 'General case' 0 N--CA 1.503 2.175 0 O-C-N 119.577 -1.952 . . . . 0.0 109.559 -178.758 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.724 HG22 ' O ' ' B' ' 78' ' ' VAL . 5.1 t -56.59 -42.18 78.25 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.396 -0.815 . . . . 0.0 110.953 178.689 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.58 HG13 ' O ' ' B' ' 79' ' ' ALA . 28.4 m -60.18 -43.27 92.78 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.551 -1.343 . . . . 0.0 108.733 177.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.562 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.87 -30.61 70.24 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.488 -0.757 . . . . 0.0 108.987 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.9 t -68.2 -39.22 82.51 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.509 -0.745 . . . . 0.0 110.049 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.412 ' ND2' ' OH ' ' A' ' 26' ' ' TYR . 57.8 t-20 -60.14 -39.52 86.6 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.152 -0.967 . . . . 0.0 108.921 -179.642 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -60.02 -40.06 88.0 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 121.121 -0.987 . . . . 0.0 109.398 178.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.443 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 63.7 t80 -82.94 -4.29 58.05 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.53 -0.731 . . . . 0.0 109.684 -179.451 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.504 ' CE2' ' ND2' ' B' ' 92' ' ' ASN . 59.9 t80 -81.19 -8.99 59.86 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.124 -0.985 . . . . 0.0 109.071 179.392 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -62.04 -8.24 5.06 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.367 -0.833 . . . . 0.0 109.706 -179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.0 pt-20 -59.94 -18.85 48.32 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.156 -0.965 . . . . 0.0 109.41 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.504 ' ND2' ' CE2' ' B' ' 89' ' ' PHE . 37.0 p-10 -89.92 -0.04 57.34 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.261 -0.9 . . . . 0.0 109.756 179.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.4 t . . . . . 0 N--CA 1.492 1.644 0 CA-C-O 117.873 -1.06 . . . . 0.0 109.373 -179.979 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 121.444 0.64 . . . . 0.0 109.482 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 64.7 mtt85 -80.02 -68.73 0.65 Allowed 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.291 -0.88 . . . . 0.0 109.118 179.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -164.32 151.07 11.31 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.06 -1.025 . . . . 0.0 109.972 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.527 ' N ' ' CD ' ' X' ' 4' ' ' LYS . 2.5 mptp? -78.63 159.02 28.28 Favored 'General case' 0 N--CA 1.487 1.424 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 179.089 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.401 HD13 HG21 ' X' ' 5' ' ' ILE . 8.5 pt -91.58 125.9 44.25 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.902 -1.123 . . . . 0.0 110.251 -178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 31.9 p-10 -120.8 28.18 8.08 Favored 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.124 -1.065 . . . . 0.0 108.124 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.667 ' O ' HG22 ' X' ' 10' ' ' ILE . 61.8 t90 -59.98 -50.25 74.48 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 121.134 -0.979 . . . . 0.0 111.398 -178.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.738 ' OD1' HD11 ' A' ' 57' ' ' ILE . 13.3 t-20 -52.88 -27.94 20.88 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 119.275 -2.141 . . . . 0.0 107.884 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -59.26 -24.59 63.34 Favored 'General case' 0 C--N 1.306 -1.287 0 N-CA-C 105.878 -1.897 . . . . 0.0 105.878 177.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.667 HG22 ' O ' ' X' ' 7' ' ' TRP . 6.6 tt -53.29 -37.06 27.56 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 N-CA-C 106.634 -1.617 . . . . 0.0 106.634 177.198 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.433 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 53.7 tp -65.68 -41.1 92.84 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 119.267 -0.973 . . . . 0.0 108.941 179.465 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 117.914 -1.041 . . . . 0.0 109.048 179.539 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.456 -0.572 . . . . 0.0 109.456 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.445 ' O ' ' OG1' ' Y' ' 3' ' ' THR . 2.4 mpt_? -133.35 153.34 51.68 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 121.568 -0.708 . . . . 0.0 109.61 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . 0.445 ' OG1' ' O ' ' Y' ' 2' ' ' ARG . 2.8 p 66.61 5.83 4.1 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.632 -0.668 . . . . 0.0 109.747 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 20.2 pttp -169.1 163.46 11.14 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.202 -0.936 . . . . 0.0 109.29 179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 24.2 pt -136.13 136.35 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 179.224 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 31.0 p-10 -132.52 21.84 4.32 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.297 -0.877 . . . . 0.0 109.575 -179.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.663 ' O ' HG22 ' Y' ' 10' ' ' ILE . 20.5 p-90 -58.82 -40.25 83.6 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.713 -1.242 . . . . 0.0 108.056 -179.738 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.613 ' OD1' HD11 ' B' ' 57' ' ' ILE . 22.8 t-20 -51.25 -30.55 18.01 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.072 -1.642 . . . . 0.0 107.846 178.69 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.473 ' O ' ' N ' ' Y' ' 12' ' ' SER . 56.9 tttm -59.79 -24.91 64.5 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 106.392 -1.707 . . . . 0.0 106.392 178.391 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.663 HG22 ' O ' ' Y' ' 7' ' ' TRP . 9.0 tt -49.04 -40.08 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 N-CA-C 106.75 -1.574 . . . . 0.0 106.75 177.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.512 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 64.0 tp -63.5 -40.05 96.04 Favored 'General case' 0 C--N 1.302 -1.496 0 N-CA-C 107.913 -1.143 . . . . 0.0 107.913 178.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . 0.473 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 13.9 m . . . . . 0 N--CA 1.491 1.594 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.275 179.62 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.97 0 N-CA-C 119.484 2.553 . . . . 0.0 119.484 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -102.08 22.32 13.34 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.462 -1.022 . . . . 0.0 109.568 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -60.02 -40.38 89.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.038 -1.039 . . . . 0.0 110.683 -178.334 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.4 -41.83 98.97 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.454 -1.404 . . . . 0.0 108.866 179.685 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.96 -38.99 87.83 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.528 -0.732 . . . . 0.0 109.061 179.204 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.0 m -52.7 -44.56 66.37 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.475 0.655 . . . . 0.0 110.5 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.13 -27.4 65.53 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 113.038 0.755 . . . . 0.0 113.038 -177.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.9 ttt -71.33 -49.31 43.85 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.26 -1.525 . . . . 0.0 110.784 -177.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -69.93 -24.6 63.39 Favored 'General case' 0 C--N 1.292 -1.895 0 O-C-N 121.686 -0.634 . . . . 0.0 110.577 -177.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.693 ' O ' HG12 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -68.44 -58.99 3.5 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.945 -1.097 . . . . 0.0 109.998 -179.594 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.493 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 7.2 mp -47.91 -36.57 12.48 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.504 -1.372 . . . . 0.0 109.105 179.78 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 77.9 mt -69.33 -39.97 79.58 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.887 0 O-C-N 121.387 -0.82 . . . . 0.0 112.26 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.7 m120 -83.57 -43.63 15.48 Favored 'General case' 0 N--CA 1.514 2.73 0 O-C-N 119.703 -1.873 . . . . 0.0 113.295 -177.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.693 HG12 ' O ' ' A' ' 10' ' ' THR . 2.2 p -62.29 -41.86 93.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.312 -1.492 . . . . 0.0 109.014 -179.218 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.658 ' CD1' HG13 ' A' ' 14' ' ' VAL . 7.8 m-30 -63.04 -39.37 94.55 Favored 'General case' 0 C--N 1.285 -2.214 0 CA-C-N 115.128 -0.942 . . . . 0.0 109.125 179.479 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 84.2 t60 -60.21 -39.97 88.45 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.93 -1.106 . . . . 0.0 109.857 178.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.5 -55.39 16.24 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.256 -0.902 . . . . 0.0 112.557 -178.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 18.1 m170 -75.52 -41.23 55.72 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.993 -1.067 . . . . 0.0 111.371 -178.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 39.9 t -62.35 -23.54 66.84 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 121.475 -0.766 . . . . 0.0 112.417 -178.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.39 2.2 32.77 Favored Glycine 0 N--CA 1.504 3.206 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -178.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.658 ' C ' ' H ' ' A' ' 23' ' ' GLY . 35.4 ttmt -124.65 -75.9 0.59 Allowed 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.533 -0.981 . . . . 0.0 108.999 179.894 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -57.29 15.26 0.0 OUTLIER 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.8 -1.187 . . . . 0.0 110.716 -179.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.658 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -166.65 163.84 37.28 Favored Glycine 0 N--CA 1.485 1.911 0 N-CA-C 109.642 -1.383 . . . . 0.0 109.642 179.31 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.46 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 31.2 t0 -77.72 162.17 27.18 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.503 -0.998 . . . . 0.0 108.64 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 27.7 tptp -67.76 84.45 0.2 Allowed 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 107.009 -1.478 . . . . 0.0 107.009 179.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' ASP . 58.3 t80 -146.89 -55.0 0.24 Allowed 'General case' 0 N--CA 1.494 1.733 0 C-N-CA 120.029 -0.668 . . . . 0.0 110.903 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -178.72 -176.35 0.46 Allowed 'General case' 0 N--CA 1.498 1.928 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 179.098 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 2.2 tp -87.18 105.19 17.03 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.443 -1.317 . . . . 0.0 107.443 179.791 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.611 ' H ' ' CD ' ' A' ' 32' ' ' GLU . 60.4 m -70.45 156.01 39.93 Favored 'General case' 0 C--N 1.293 -1.863 0 O-C-N 120.168 -1.583 . . . . 0.0 108.118 178.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.476 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 64.0 tttt -42.94 -30.35 0.4 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 119.262 -0.975 . . . . 0.0 110.594 179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.76 -25.54 28.18 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.654 -1.279 . . . . 0.0 109.643 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.611 ' CD ' ' H ' ' A' ' 29' ' ' SER . 36.6 mt-10 -69.98 -42.42 73.11 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 120.804 -1.185 . . . . 0.0 109.898 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.614 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.8 pp -65.18 -41.7 94.36 Favored 'General case' 0 N--CA 1.498 1.932 0 CA-C-O 122.103 0.954 . . . . 0.0 109.765 178.555 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.614 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.1 tttt -61.57 -46.88 88.01 Favored 'General case' 0 N--CA 1.497 1.881 0 CA-C-N 115.749 -0.66 . . . . 0.0 112.59 -176.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -68.61 -38.69 80.81 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 121.656 0.741 . . . . 0.0 110.423 -178.398 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.613 HD23 ' CZ ' ' A' ' 74' ' ' PHE . 26.8 tp -60.94 -39.2 88.56 Favored 'General case' 0 C--N 1.287 -2.129 0 O-C-N 121.492 -0.755 . . . . 0.0 111.144 -179.211 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.2 mp -81.44 -48.76 11.47 Favored 'General case' 0 N--CA 1.501 2.105 0 N-CA-C 113.733 1.012 . . . . 0.0 113.733 -177.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.0 pt20 -65.8 -27.45 68.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.093 -1.004 . . . . 0.0 111.636 -176.128 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 96.6 m -59.03 -46.18 88.87 Favored 'General case' 0 C--N 1.292 -1.921 0 C-N-CA 119.518 -0.873 . . . . 0.0 111.17 -175.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.7 mt-10 -107.91 -15.26 14.58 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.296 -0.878 . . . . 0.0 111.696 -177.383 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD13 HD23 ' A' ' 45' ' ' LEU . 22.6 mt -131.53 49.03 2.36 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.085 -1.009 . . . . 0.0 109.611 -179.407 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.528 ' OG ' ' NE2' ' A' ' 48' ' ' GLN . 45.4 t -63.28 -49.98 71.92 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.186 -0.946 . . . . 0.0 110.609 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 36.2 t -64.24 -40.4 95.96 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.444 -0.785 . . . . 0.0 111.565 -178.112 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.604 ' O ' ' O ' ' A' ' 45' ' ' LEU . 37.5 t80 -86.48 -101.28 0.07 Allowed 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.701 -1.25 . . . . 0.0 111.068 -179.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.604 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -8.54 133.89 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.079 0 CA-C-O 114.993 -2.432 . . . . 0.0 109.629 177.797 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.57 ' OD2' ' N ' ' X' ' 8' ' ' ASN . 42.3 m-20 -88.81 118.63 28.65 Favored 'General case' 0 N--CA 1.521 3.099 1 CA-C-N 127.785 4.811 . . . . 0.0 109.237 176.176 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 48' ' ' GLN . 71.5 t -146.9 -83.16 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.5 2.033 0 O-C-N 120.912 -1.117 . . . . 0.0 110.271 179.601 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.528 ' NE2' ' OG ' ' A' ' 42' ' ' SER . 12.4 pt20 -63.31 -41.64 98.95 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.419 -0.801 . . . . 0.0 112.058 -177.111 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 20.5 mtmm -60.81 -39.09 87.65 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 120.697 -1.252 . . . . 0.0 108.12 179.068 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -123.26 91.37 3.47 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 108.136 -1.061 . . . . 0.0 108.136 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.88 -32.25 70.55 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 106.761 -1.57 . . . . 0.0 106.761 179.352 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.26 -39.81 88.13 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 176.827 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.91 -40.07 79.49 Favored 'General case' 0 C--N 1.304 -1.402 0 C-N-CA 119.15 -1.02 . . . . 0.0 109.691 -177.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -62.0 -37.38 78.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 120.491 -1.381 . . . . 0.0 109.005 179.513 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.476 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 95.5 m-20 -64.7 -42.16 95.49 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.148 -0.97 . . . . 0.0 110.791 -177.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.82 -39.64 93.91 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.986 -1.071 . . . . 0.0 109.581 -179.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.738 HD11 ' OD1' ' X' ' 8' ' ' ASN . 5.7 mm -66.23 -56.55 14.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.846 0 O-C-N 121.692 -0.63 . . . . 0.0 111.618 -178.037 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.4 OUTLIER -62.45 -36.14 81.5 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.038 -1.039 . . . . 0.0 111.586 -178.009 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 9.2 mmpt? -60.05 -41.95 93.4 Favored 'General case' 0 C--N 1.292 -1.922 0 N-CA-C 107.899 -1.148 . . . . 0.0 107.899 179.243 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.16 -23.55 64.02 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.651 -1.611 . . . . 0.0 106.651 177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' O ' ' N ' ' A' ' 63' ' ' GLU . 32.5 mt -96.65 -25.2 15.66 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.509 -0.744 . . . . 0.0 110.476 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 58' ' ' MET . 13.0 t0 -73.01 50.17 0.26 Allowed 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 106.014 -1.847 . . . . 0.0 106.014 179.257 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.529 ' N ' ' O ' ' A' ' 61' ' ' LEU . 93.8 mt-10 -60.04 -40.18 88.49 Favored 'General case' 0 C--N 1.303 -1.428 0 CA-C-N 115.43 -0.804 . . . . 0.0 108.912 -178.336 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -78.39 -20.88 50.24 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 106.853 -1.536 . . . . 0.0 106.853 178.673 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.0 39.14 28.53 Favored Glycine 0 N--CA 1.486 1.976 0 N-CA-C 107.009 -2.436 . . . . 0.0 107.009 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 31.1 p-10 -94.27 -12.48 28.03 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 121.602 -0.94 . . . . 0.0 112.078 -176.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.12 0.44 80.61 Favored Glycine 0 N--CA 1.504 3.221 0 O-C-N 120.788 -1.195 . . . . 0.0 110.928 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 37.7 mp0 -137.89 177.93 7.5 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.629 -1.512 . . . . 0.0 107.872 179.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.4 t -121.15 132.21 71.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 O-C-N 121.396 -0.815 . . . . 0.0 109.443 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.527 ' O ' ' N ' ' A' ' 73' ' ' GLU . 29.6 t0 -95.87 147.78 23.3 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.409 -0.807 . . . . 0.0 109.128 179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.505 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 13.5 t80 -46.58 -26.96 0.99 Allowed 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.486 -0.759 . . . . 0.0 109.52 -179.184 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.527 ' O ' HG23 ' A' ' 76' ' ' VAL . 94.8 mt-30 -77.59 -29.2 51.9 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 120.931 -1.106 . . . . 0.0 108.808 177.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.527 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.3 mt-10 -83.44 -45.92 13.1 Favored 'General case' 0 C--N 1.304 -1.413 0 CA-C-O 122.24 1.019 . . . . 0.0 109.109 179.274 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.613 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 31.9 t80 -60.42 -49.88 75.81 Favored 'General case' 0 C--N 1.3 -1.551 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.641 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.755 HG12 ' HB1' ' B' ' 79' ' ' ALA . 55.9 t -61.2 -39.98 84.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.551 -0.718 . . . . 0.0 110.776 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 72' ' ' GLN . 45.4 t -56.35 -30.47 30.65 Favored 'Isoleucine or valine' 0 C--N 1.288 -2.073 0 O-C-N 120.7 -1.25 . . . . 0.0 108.673 179.054 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.462 HD13 ' O ' ' A' ' 77' ' ' LEU . 0.5 OUTLIER -78.98 -56.06 4.67 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.338 -0.851 . . . . 0.0 112.792 -177.888 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.45 ' H ' HG13 ' A' ' 78' ' ' VAL . 3.9 m -51.46 -34.06 15.08 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 120.433 -1.417 . . . . 0.0 109.177 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.758 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -74.01 -39.83 63.34 Favored 'General case' 0 C--N 1.29 -2.007 0 CA-C-N 115.525 -0.762 . . . . 0.0 110.538 178.55 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.427 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -75.8 -24.76 55.95 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.088 -1.007 . . . . 0.0 113.148 -176.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.541 HD22 HD11 ' A' ' 45' ' ' LEU . 2.5 pp -83.56 -40.09 19.56 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 119.762 -1.836 . . . . 0.0 109.906 -179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.432 ' N ' ' HG ' ' A' ' 81' ' ' LEU . 2.4 t -59.82 -41.51 91.47 Favored 'General case' 0 N--CA 1.501 2.102 0 O-C-N 121.33 -0.856 . . . . 0.0 110.343 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 6.8 m -58.89 -40.05 79.21 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 N-CA-C 108.074 -1.084 . . . . 0.0 108.074 177.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.53 -25.83 64.22 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 108.963 -0.754 . . . . 0.0 108.963 179.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 43.9 t -68.49 -39.96 81.12 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.231 -0.918 . . . . 0.0 109.585 -179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 47.8 t30 -60.02 -39.85 87.25 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.428 -0.795 . . . . 0.0 109.321 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.9 t-20 -59.97 -39.85 87.04 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.412 -0.805 . . . . 0.0 110.089 -179.296 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' A' ' 88' ' ' PHE . 6.6 t80 -89.11 -5.57 57.7 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.16 -0.963 . . . . 0.0 109.508 -179.332 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.417 ' CE2' ' O ' ' A' ' 93' ' ' SER . 28.0 t80 -89.85 -3.86 57.88 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.164 -0.96 . . . . 0.0 108.937 179.464 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.1 t90 -59.98 -39.85 87.1 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.615 -0.678 . . . . 0.0 109.699 -179.163 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -67.86 -39.92 83.71 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.229 -0.919 . . . . 0.0 109.817 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -83.72 5.4 24.87 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.193 -0.942 . . . . 0.0 109.638 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.417 ' O ' ' CE2' ' A' ' 89' ' ' PHE . 35.2 t . . . . . 0 N--CA 1.493 1.679 0 CA-C-O 117.807 -1.092 . . . . 0.0 109.611 179.78 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.846 0 N-CA-C 119.489 2.556 . . . . 0.0 119.489 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 70.4 m -102.17 22.01 13.95 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.568 -0.96 . . . . 0.0 109.25 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -59.9 -40.64 89.44 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.18 -0.95 . . . . 0.0 110.639 -178.247 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.34 -41.89 98.94 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.541 -1.349 . . . . 0.0 108.747 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -60.77 -39.25 88.12 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.357 -0.84 . . . . 0.0 109.027 179.16 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.486 ' O ' ' OG1' ' B' ' 10' ' ' THR . 23.5 m -52.54 -44.47 65.82 Favored 'General case' 0 C--N 1.299 -1.596 0 CA-C-O 121.506 0.67 . . . . 0.0 110.703 -179.309 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.45 -26.99 64.86 Favored 'General case' 0 N--CA 1.495 1.8 0 N-CA-C 112.896 0.702 . . . . 0.0 112.896 -177.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.1 ttt -71.65 -49.2 42.1 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.295 -1.503 . . . . 0.0 110.666 -177.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -69.86 -24.23 63.4 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 121.58 -0.7 . . . . 0.0 110.596 -177.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.714 ' O ' HG12 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -68.93 -58.75 3.7 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 120.907 -1.12 . . . . 0.0 110.038 -179.572 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.506 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 7.2 mp -48.3 -36.48 14.31 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 120.376 -1.452 . . . . 0.0 108.919 179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 83.2 mt -69.38 -39.91 79.4 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.925 0 O-C-N 121.47 -0.769 . . . . 0.0 112.53 -179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.2 m120 -83.52 -43.74 15.42 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.676 -1.89 . . . . 0.0 113.448 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.714 HG12 ' O ' ' B' ' 10' ' ' THR . 2.2 p -62.23 -41.68 92.36 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 O-C-N 120.404 -1.435 . . . . 0.0 108.975 -179.067 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.677 ' CD1' HG13 ' B' ' 14' ' ' VAL . 7.7 m-30 -63.2 -39.64 95.21 Favored 'General case' 0 C--N 1.287 -2.143 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.086 179.541 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -59.89 -40.01 87.26 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.012 -1.055 . . . . 0.0 109.897 177.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -50.18 -55.56 14.67 Favored 'General case' 0 N--CA 1.501 2.083 0 O-C-N 121.236 -0.915 . . . . 0.0 112.598 -178.587 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 18.4 m170 -75.66 -41.26 54.46 Favored 'General case' 0 N--CA 1.505 2.314 0 O-C-N 121.114 -0.991 . . . . 0.0 111.477 -178.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 40.0 t -62.07 -23.94 66.8 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.325 -0.859 . . . . 0.0 112.437 -178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -108.26 2.25 33.03 Favored Glycine 0 N--CA 1.504 3.206 0 O-C-N 120.732 -1.23 . . . . 0.0 110.092 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.656 ' C ' ' H ' ' B' ' 23' ' ' GLY . 35.7 ttmt -124.67 -75.64 0.6 Allowed 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.455 -1.026 . . . . 0.0 108.949 179.764 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -57.43 15.17 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.748 -1.22 . . . . 0.0 110.795 -179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.656 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -166.45 164.2 37.47 Favored Glycine 0 N--CA 1.484 1.886 0 N-CA-C 109.493 -1.443 . . . . 0.0 109.493 179.298 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.467 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 31.8 t0 -78.01 162.24 26.89 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.575 -0.956 . . . . 0.0 108.597 179.637 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.467 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 27.6 tptp -67.87 83.77 0.21 Allowed 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.115 -1.439 . . . . 0.0 107.115 179.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.459 ' N ' ' O ' ' B' ' 24' ' ' ASP . 60.9 t80 -146.12 -55.28 0.28 Allowed 'General case' 0 N--CA 1.495 1.788 0 C-N-CA 120.085 -0.646 . . . . 0.0 110.999 -179.07 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.2 ttpt -178.49 -176.72 0.51 Allowed 'General case' 0 N--CA 1.497 1.896 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 2.0 tp -86.61 105.45 16.88 Favored 'General case' 0 N--CA 1.488 1.471 0 N-CA-C 107.383 -1.34 . . . . 0.0 107.383 179.753 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.601 ' H ' ' CD ' ' B' ' 32' ' ' GLU . 67.4 m -70.77 156.08 39.97 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 120.167 -1.583 . . . . 0.0 108.04 178.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.431 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 66.3 tttt -43.14 -30.35 0.45 Allowed 'General case' 0 N--CA 1.496 1.854 0 C-N-CA 119.117 -1.033 . . . . 0.0 110.66 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.64 -25.51 28.46 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.622 -1.298 . . . . 0.0 109.701 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.601 ' CD ' ' H ' ' B' ' 29' ' ' SER . 36.3 mt-10 -69.97 -42.42 73.15 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.654 -1.279 . . . . 0.0 109.851 179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.63 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.7 pp -65.17 -41.6 94.49 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 122.162 0.982 . . . . 0.0 109.879 178.71 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.63 ' N ' HD12 ' B' ' 33' ' ' LEU . 79.2 tttt -61.81 -46.83 87.8 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-N 115.64 -0.709 . . . . 0.0 112.538 -177.371 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.401 ' O ' ' OG1' ' B' ' 39' ' ' THR . 55.2 t0 -68.68 -38.61 80.49 Favored 'General case' 0 N--CA 1.496 1.854 0 CA-C-O 121.729 0.776 . . . . 0.0 110.401 -178.346 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.613 HD23 ' CZ ' ' B' ' 74' ' ' PHE . 27.7 tp -61.07 -39.0 88.22 Favored 'General case' 0 C--N 1.286 -2.188 0 O-C-N 121.474 -0.766 . . . . 0.0 111.273 -179.273 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -81.54 -48.81 11.33 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.967 -1.083 . . . . 0.0 113.674 -177.784 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -65.77 -27.26 68.16 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 122.102 0.954 . . . . 0.0 111.727 -176.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 97.0 m -59.13 -46.48 88.24 Favored 'General case' 0 C--N 1.289 -2.032 0 C-N-CA 119.384 -0.926 . . . . 0.0 111.027 -175.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 79.4 mt-10 -107.69 -15.29 14.61 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.307 -0.871 . . . . 0.0 111.714 -177.354 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 32.0 mt -131.1 48.12 2.46 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 121.084 -1.01 . . . . 0.0 109.789 -179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.501 ' OG ' ' NE2' ' B' ' 48' ' ' GLN . 45.2 t -62.92 -50.26 71.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.189 -0.944 . . . . 0.0 110.766 -179.75 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 37.5 t -64.18 -40.01 95.21 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.424 -0.798 . . . . 0.0 111.531 -178.154 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.556 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.4 t80 -87.7 -87.77 0.15 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 120.598 -1.314 . . . . 0.0 112.12 -178.354 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.559 HD11 HD22 ' B' ' 81' ' ' LEU . 0.2 OUTLIER -31.06 141.01 0.02 OUTLIER 'General case' 0 N--CA 1.516 2.859 0 CA-C-O 116.85 -1.547 . . . . 0.0 108.326 -174.899 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.45 ' OD1' ' CD1' ' Y' ' 7' ' ' TRP . 48.3 m-20 -88.97 116.82 27.54 Favored 'General case' 0 N--CA 1.508 2.441 0 CA-C-N 125.055 3.571 . . . . 0.0 108.712 178.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.402 HG12 ' N ' ' B' ' 48' ' ' GLN . 76.1 t -146.51 -82.43 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 121.076 -1.015 . . . . 0.0 110.223 179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.501 ' NE2' ' OG ' ' B' ' 42' ' ' SER . 12.7 pt20 -63.56 -41.68 98.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.547 -0.72 . . . . 0.0 112.027 -177.395 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.5 mtmm -60.56 -39.5 88.2 Favored 'General case' 0 C--N 1.292 -1.897 0 O-C-N 120.893 -1.129 . . . . 0.0 107.976 179.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 89.6 m-20 -123.48 91.39 3.47 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 108.218 -1.03 . . . . 0.0 108.218 177.709 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.58 -32.63 70.55 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 106.758 -1.571 . . . . 0.0 106.758 179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -60.23 -39.96 88.53 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 176.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.54 -41.06 80.2 Favored 'General case' 0 C--N 1.304 -1.381 0 C-N-CA 118.976 -1.09 . . . . 0.0 109.502 -177.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.81 -37.73 77.14 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.634 -1.291 . . . . 0.0 108.952 179.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.431 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 96.3 m-20 -64.47 -42.41 95.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.14 -0.975 . . . . 0.0 110.899 -177.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? -64.52 -40.0 94.81 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.047 -1.033 . . . . 0.0 109.619 -179.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.613 HD11 ' OD1' ' Y' ' 8' ' ' ASN . 5.6 mm -65.99 -56.36 15.11 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.861 -0.524 . . . . 0.0 111.745 -178.161 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.523 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -62.67 -36.24 82.26 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.998 -1.064 . . . . 0.0 111.395 -177.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mmpt? -59.95 -42.41 94.0 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 107.961 -1.125 . . . . 0.0 107.961 179.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -60.33 -21.92 62.62 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 107.044 -1.465 . . . . 0.0 107.044 177.175 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.553 ' O ' ' N ' ' B' ' 63' ' ' GLU . 34.0 mt -97.84 -25.5 15.02 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.584 -0.698 . . . . 0.0 110.322 179.773 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' B' ' 58' ' ' MET . 13.5 t0 -72.97 50.12 0.26 Allowed 'General case' 0 C--N 1.3 -1.564 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 179.376 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' B' ' 61' ' ' LEU . 93.5 mt-10 -60.03 -40.01 87.86 Favored 'General case' 0 C--N 1.306 -1.29 0 CA-C-N 115.307 -0.861 . . . . 0.0 109.059 -178.34 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 16.3 t-20 -78.44 -21.04 49.75 Favored 'General case' 0 C--N 1.296 -1.757 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.01 39.24 28.26 Favored Glycine 0 N--CA 1.485 1.946 0 N-CA-C 106.899 -2.48 . . . . 0.0 106.899 -178.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.441 ' OD1' ' OD1' ' B' ' 62' ' ' ASP . 33.1 p-10 -94.21 -12.51 28.09 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.663 -0.904 . . . . 0.0 112.064 -176.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 88.84 0.8 80.94 Favored Glycine 0 N--CA 1.503 3.105 0 O-C-N 120.774 -1.204 . . . . 0.0 110.992 179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.429 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 38.1 mp0 -138.04 178.21 7.29 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.508 -1.584 . . . . 0.0 107.842 179.552 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 3.3 t -121.36 132.11 71.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 121.161 -0.962 . . . . 0.0 109.422 -179.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.534 ' O ' ' N ' ' B' ' 73' ' ' GLU . 29.8 t0 -95.88 147.7 23.39 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.359 -0.838 . . . . 0.0 109.127 179.624 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 13.2 t80 -46.25 -27.23 0.96 Allowed 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.595 -0.691 . . . . 0.0 109.476 -179.285 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.52 ' O ' HG23 ' B' ' 76' ' ' VAL . 94.0 mt-30 -77.61 -28.94 51.65 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.9 -1.125 . . . . 0.0 108.79 177.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.9 mt-10 -83.67 -45.96 12.84 Favored 'General case' 0 C--N 1.301 -1.507 0 CA-C-O 122.266 1.032 . . . . 0.0 108.916 179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.613 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 31.9 t80 -60.5 -49.81 76.07 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-N 115.296 -0.865 . . . . 0.0 110.76 -179.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.758 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.7 t -61.26 -40.01 84.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.811 0 O-C-N 121.519 -0.738 . . . . 0.0 110.741 -179.33 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.52 HG23 ' O ' ' B' ' 72' ' ' GLN . 46.6 t -55.88 -30.78 28.79 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.012 0 O-C-N 120.661 -1.274 . . . . 0.0 108.76 178.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.456 HD13 ' O ' ' B' ' 77' ' ' LEU . 0.5 OUTLIER -79.03 -56.23 4.54 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 121.369 -0.832 . . . . 0.0 112.796 -177.759 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.429 ' H ' HG13 ' B' ' 78' ' ' VAL . 3.5 m -51.18 -33.81 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.412 -1.43 . . . . 0.0 109.197 -179.434 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.755 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -74.42 -39.25 62.74 Favored 'General case' 0 C--N 1.286 -2.165 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.651 178.722 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.417 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -76.51 -24.7 53.73 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.999 -1.063 . . . . 0.0 113.128 -176.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.559 HD22 HD11 ' B' ' 45' ' ' LEU . 2.7 pp -83.15 -39.97 20.34 Favored 'General case' 0 N--CA 1.498 1.965 0 O-C-N 119.719 -1.863 . . . . 0.0 109.827 -179.441 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.421 ' N ' ' HG ' ' B' ' 81' ' ' LEU . 2.2 t -60.04 -42.16 93.84 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.551 -0.718 . . . . 0.0 110.327 179.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.417 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 8.8 m -58.58 -39.82 76.95 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 177.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.404 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -70.04 -25.5 63.59 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 109.006 -0.739 . . . . 0.0 109.006 179.378 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.9 t -68.52 -39.95 80.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.222 -0.924 . . . . 0.0 109.535 -179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -59.93 -39.89 87.01 Favored 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.303 -0.873 . . . . 0.0 109.261 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.07 -39.87 87.51 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 109.863 -179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.543 ' O ' ' CD1' ' B' ' 88' ' ' PHE . 6.1 t80 -89.06 -5.33 57.95 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.066 -1.021 . . . . 0.0 109.648 -179.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.412 ' CE2' ' O ' ' B' ' 93' ' ' SER . 27.7 t80 -90.0 -3.98 57.69 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.071 -1.018 . . . . 0.0 108.926 179.282 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.4 t90 -60.01 -39.95 87.54 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.524 -0.735 . . . . 0.0 109.568 -179.276 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -67.6 -39.84 84.77 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.184 -0.948 . . . . 0.0 109.946 179.722 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 86.1 m-20 -83.73 5.43 24.77 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.22 -0.925 . . . . 0.0 109.672 -179.695 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.412 ' O ' ' CE2' ' B' ' 89' ' ' PHE . 34.4 t . . . . . 0 N--CA 1.491 1.624 0 CA-C-O 117.81 -1.09 . . . . 0.0 109.69 179.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . 0.5 ' H2 ' ' HE2' ' X' ' 4' ' ' LYS . 5.5 t . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.556 -0.535 . . . . 0.0 109.556 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' X' ' 3' ' ' THR . 65.3 ttt-85 -89.04 52.89 2.51 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.072 -1.018 . . . . 0.0 109.356 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . 0.425 HG22 ' O ' ' X' ' 3' ' ' THR . 39.6 m 44.25 82.91 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.112 -0.992 . . . . 0.0 110.074 179.482 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.513 ' N ' ' CD ' ' X' ' 4' ' ' LYS . 1.5 mptp? -61.63 -50.88 70.78 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.254 -0.904 . . . . 0.0 110.464 -179.299 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.556 ' O ' ' N ' ' X' ' 7' ' ' TRP . 50.7 pt -145.4 -39.64 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.816 -1.178 . . . . 0.0 110.645 -179.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.455 ' OD1' ' O ' ' X' ' 5' ' ' ILE . 5.6 p-10 37.92 24.76 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.423 -0.798 . . . . 0.0 110.559 179.576 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.693 ' O ' HG22 ' X' ' 10' ' ' ILE . 46.3 t90 -60.94 -52.79 63.52 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 120.874 -1.141 . . . . 0.0 110.493 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.418 ' CB ' ' OD1' ' A' ' 46' ' ' ASP . 1.7 t30 -52.44 -29.51 24.89 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 119.578 -1.951 . . . . 0.0 108.263 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 40.5 tttp -54.82 -24.95 25.22 Favored 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 106.139 -1.8 . . . . 0.0 106.139 178.135 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.693 HG22 ' O ' ' X' ' 7' ' ' TRP . 4.0 tt -53.55 -38.3 33.28 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 N-CA-C 106.435 -1.691 . . . . 0.0 106.435 177.159 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.462 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 38.4 tp -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.575 0 N-CA-C 109.014 -0.736 . . . . 0.0 109.014 179.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 11.3 m . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 117.998 -1.001 . . . . 0.0 109.146 179.597 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . 0.442 HG22 ' H ' ' Y' ' 2' ' ' ARG . 2.8 m . . . . . 0 N--CA 1.49 1.53 0 N-CA-C 109.298 -0.631 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.442 ' H ' HG22 ' Y' ' 1' ' ' THR . 66.1 mtp85 49.85 -147.7 0.33 Allowed 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.176 -0.953 . . . . 0.0 109.232 179.695 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 66.6 p -84.14 160.14 20.94 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.772 -1.205 . . . . 0.0 109.851 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.505 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 4.9 mptp? -83.56 53.72 2.62 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.177 -0.952 . . . . 0.0 109.25 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.505 ' O ' ' O ' ' Y' ' 4' ' ' LYS . 0.1 OUTLIER 45.52 102.58 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.498 1.932 0 CA-C-O 122.424 1.107 . . . . 0.0 109.604 179.838 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.7 p-10 -123.78 28.11 7.03 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.841 -1.162 . . . . 0.0 107.972 179.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.711 ' O ' HG22 ' Y' ' 10' ' ' ILE . 7.7 p-90 -58.07 -44.42 87.5 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.817 -1.177 . . . . 0.0 109.032 -178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.512 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 12.4 t-20 -51.24 -28.64 12.14 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 119.857 -1.777 . . . . 0.0 107.952 179.156 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 51.8 tttm -58.09 -26.12 62.18 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 106.265 -1.754 . . . . 0.0 106.265 177.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.711 HG22 ' O ' ' Y' ' 7' ' ' TRP . 6.2 tt -49.79 -39.88 15.32 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 N-CA-C 106.826 -1.546 . . . . 0.0 106.826 177.481 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.482 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 29.2 tp -70.16 -39.95 75.02 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-N 115.234 -0.894 . . . . 0.0 109.704 179.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . 0.452 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 1.4 p . . . . . 0 N--CA 1.495 1.776 0 CA-C-O 117.691 -1.147 . . . . 0.0 109.917 -179.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.958 0 N-CA-C 119.308 2.483 . . . . 0.0 119.308 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.8 p -107.02 -104.41 0.34 Allowed 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.752 -1.44 . . . . 0.0 110.162 -179.562 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -59.91 -42.71 94.48 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.715 -1.241 . . . . 0.0 111.76 -176.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 28.5 mt -69.97 -41.18 74.82 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.696 -1.252 . . . . 0.0 111.138 -178.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 10.9 tm-20 -67.07 -37.08 83.37 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.475 -1.29 . . . . 0.0 109.22 -178.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.5 m -59.87 -47.13 86.99 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.312 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -70.08 -27.23 64.45 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 113.199 0.815 . . . . 0.0 113.199 -178.063 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.45 ' SD ' ' C ' ' A' ' 8' ' ' MET . 3.6 ppp? -75.87 -44.62 39.73 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 119.97 -1.707 . . . . 0.0 109.849 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 94.8 mt-10 -71.44 -36.39 71.25 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.274 -0.891 . . . . 0.0 110.864 -179.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.494 ' O ' ' N ' ' A' ' 13' ' ' ASN . 0.6 OUTLIER -61.5 -54.93 36.76 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 120.476 -1.39 . . . . 0.0 109.772 -178.616 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 10' ' ' THR . 9.0 mp -47.92 -40.24 21.41 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 120.269 -1.519 . . . . 0.0 108.276 178.52 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 93.9 mt -63.71 -27.93 43.93 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.934 0 O-C-N 120.772 -1.205 . . . . 0.0 109.346 178.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.494 ' N ' ' O ' ' A' ' 10' ' ' THR . 59.5 t-20 -76.26 -56.18 4.88 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.14 -0.975 . . . . 0.0 112.069 179.612 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.493 ' CG1' ' N ' ' A' ' 15' ' ' PHE . 2.5 p -62.21 -46.11 97.2 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.386 0 O-C-N 121.503 -0.748 . . . . 0.0 110.389 -178.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.493 ' N ' ' CG1' ' A' ' 14' ' ' VAL . 19.6 m-85 -59.98 -40.13 88.09 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.258 -0.901 . . . . 0.0 109.899 -179.446 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -59.98 -38.65 83.16 Favored 'General case' 0 C--N 1.292 -1.893 0 O-C-N 120.023 -1.673 . . . . 0.0 109.909 179.489 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.15 -56.48 21.64 Favored 'General case' 0 N--CA 1.495 1.794 0 N-CA-C 113.644 0.979 . . . . 0.0 113.644 -177.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.411 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 87.4 m-70 -82.98 -41.68 18.48 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.678 -1.263 . . . . 0.0 111.637 -177.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 10.7 p -60.43 -33.98 73.31 Favored 'General case' 0 C--N 1.295 -1.77 0 N-CA-C 113.265 0.839 . . . . 0.0 113.265 -178.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.12 10.21 58.25 Favored Glycine 0 N--CA 1.499 2.869 0 O-C-N 120.784 -1.198 . . . . 0.0 111.028 -177.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.1 ttpp -122.95 -70.81 0.75 Allowed 'General case' 0 N--CA 1.504 2.234 0 O-C-N 121.301 -1.117 . . . . 0.0 110.003 -179.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.46 ' O ' ' CG ' ' A' ' 32' ' ' GLU . 70.2 mm-40 -78.6 51.17 1.04 Allowed 'General case' 0 C--N 1.295 -1.801 0 O-C-N 120.764 -1.21 . . . . 0.0 109.338 179.782 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.98 -142.49 7.26 Favored Glycine 0 N--CA 1.495 2.607 0 C-N-CA 119.51 -1.329 . . . . 0.0 111.63 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.4 ' OD2' ' OE2' ' A' ' 68' ' ' GLU . 96.2 m-20 -83.6 158.33 21.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.757 -0.849 . . . . 0.0 110.927 -179.244 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 38.1 mmtm -51.97 -59.85 3.87 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.767 -0.583 . . . . 0.0 111.258 -179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.6 m-85 -115.29 26.56 9.99 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 121.263 -0.898 . . . . 0.0 111.968 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 26.2 tttt -140.34 146.35 38.35 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.719 -1.238 . . . . 0.0 108.476 178.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD21 ' N ' ' A' ' 33' ' ' LEU . 0.3 OUTLIER -94.03 165.05 12.83 Favored 'General case' 0 C--N 1.294 -1.84 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.602 -177.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.518 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 73.8 m -131.89 162.24 31.1 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.062 -1.024 . . . . 0.0 111.089 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -47.5 -38.56 14.14 Favored 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 119.836 -0.746 . . . . 0.0 111.287 179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 20.0 ttpt -79.94 -27.26 39.83 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 119.574 -1.954 . . . . 0.0 110.342 -178.418 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.518 ' HB2' ' H ' ' A' ' 29' ' ' SER . 51.9 mt-10 -69.23 -40.04 78.19 Favored 'General case' 0 C--N 1.288 -2.066 0 O-C-N 121.168 -0.958 . . . . 0.0 110.374 -179.496 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.426 ' N ' HD21 ' A' ' 28' ' ' LEU . 3.2 pp -66.9 -40.95 87.85 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.934 -1.104 . . . . 0.0 110.859 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.6 mtpt -60.05 -39.86 87.42 Favored 'General case' 0 N--CA 1.498 1.967 0 C-N-CA 119.849 -0.741 . . . . 0.0 112.223 -178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 36' ' ' LEU . 1.9 p30 -81.18 -34.02 32.64 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.567 -1.333 . . . . 0.0 111.147 -177.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.481 HD11 HG22 ' A' ' 14' ' ' VAL . 26.3 tp -61.75 -51.46 68.23 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.911 -1.118 . . . . 0.0 109.319 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -70.01 -41.63 74.07 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-O 121.954 0.883 . . . . 0.0 111.267 -179.224 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 18.2 tm0? -69.61 -39.99 76.88 Favored 'General case' 0 N--CA 1.492 1.643 0 CA-C-O 121.768 0.794 . . . . 0.0 111.737 -177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.5 m -60.12 -49.66 76.77 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.556 -0.715 . . . . 0.0 111.564 -175.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -99.94 -17.04 17.75 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.145 -0.972 . . . . 0.0 111.771 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.4 mt -135.81 57.51 1.78 Allowed 'General case' 0 N--CA 1.504 2.255 0 O-C-N 120.843 -1.161 . . . . 0.0 110.332 -179.282 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 92.5 p -70.0 -42.11 73.49 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.254 -0.904 . . . . 0.0 110.107 179.752 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 35.8 t -72.33 -43.89 63.46 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.384 -0.822 . . . . 0.0 111.984 -178.03 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.582 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -81.8 -105.42 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.513 -1.367 . . . . 0.0 111.127 -178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.779 HD11 HD22 ' A' ' 81' ' ' LEU . 0.1 OUTLIER -9.13 129.51 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.081 0 CA-C-O 115.036 -2.411 . . . . 0.0 109.257 178.009 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.579 ' OD1' ' O ' ' A' ' 46' ' ' ASP . 55.5 p-10 -91.44 110.09 21.39 Favored 'General case' 0 N--CA 1.522 3.155 1 CA-C-N 127.807 4.821 . . . . 0.0 110.313 177.423 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.501 HG23 ' N ' ' A' ' 48' ' ' GLN . 11.5 m -144.79 -41.06 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.503 2.22 0 O-C-N 120.22 -1.55 . . . . 0.0 110.754 179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.501 ' N ' HG23 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -96.77 -44.13 7.22 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.02 -1.05 . . . . 0.0 111.581 -177.909 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 54.6 mtmt -66.41 -19.14 65.72 Favored 'General case' 0 C--N 1.297 -1.687 0 O-C-N 120.919 -1.113 . . . . 0.0 108.122 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -140.28 88.11 2.19 Favored 'General case' 0 C--N 1.3 -1.563 0 N-CA-C 107.987 -1.116 . . . . 0.0 107.987 179.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.96 -36.87 78.03 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.422 -0.799 . . . . 0.0 109.027 -179.118 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.4 m-20 -59.82 -39.89 86.61 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 177.407 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.69 -40.07 78.64 Favored 'General case' 0 C--N 1.297 -1.698 0 C-N-CA 119.131 -1.028 . . . . 0.0 109.458 -178.446 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -65.32 -38.27 82.16 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.456 0 O-C-N 120.803 -1.185 . . . . 0.0 108.853 179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 53.8 t0 -60.05 -40.1 88.25 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.825 -1.172 . . . . 0.0 109.383 -178.247 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -64.43 -40.12 95.14 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.322 -0.861 . . . . 0.0 109.478 179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 26.7 mt -67.71 -56.11 14.38 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.693 -0.63 . . . . 0.0 111.644 -178.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.22 -39.46 86.73 Favored 'General case' 0 C--N 1.296 -1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 109.906 -179.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.35 -40.54 91.08 Favored 'General case' 0 C--N 1.287 -2.125 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.366 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 79.9 tt0 -64.56 -28.51 69.69 Favored 'General case' 0 C--N 1.298 -1.656 0 N-CA-C 108.189 -1.041 . . . . 0.0 108.189 179.064 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.588 ' O ' ' N ' ' A' ' 63' ' ' GLU . 5.3 mt -86.74 -29.73 22.15 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.498 -0.752 . . . . 0.0 110.528 -179.76 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 12.5 t0 -70.69 50.33 0.13 Allowed 'General case' 0 C--N 1.297 -1.684 0 N-CA-C 106.939 -1.504 . . . . 0.0 106.939 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.588 ' N ' ' O ' ' A' ' 61' ' ' LEU . 99.8 mt-10 -59.75 -39.92 86.38 Favored 'General case' 0 N--CA 1.486 1.374 0 N-CA-C 108.777 -0.823 . . . . 0.0 108.777 -178.813 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 -70.6 -19.28 62.86 Favored 'General case' 0 C--N 1.305 -1.356 0 N-CA-C 105.907 -1.886 . . . . 0.0 105.907 178.251 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.16 32.4 23.23 Favored Glycine 0 N--CA 1.48 1.63 0 N-CA-C 110.624 -0.99 . . . . 0.0 110.624 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 11.3 m-20 -93.06 -123.73 0.09 Allowed 'General case' 0 N--CA 1.497 1.911 0 N-CA-C 106.744 -1.576 . . . . 0.0 106.744 179.341 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.8 22.14 0.27 Allowed Glycine 0 N--CA 1.492 2.402 0 N-CA-C 107.017 -2.433 . . . . 0.0 107.017 178.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.4 ' OE2' ' OD2' ' A' ' 24' ' ' ASP . 40.0 mt-10 -133.27 175.08 9.72 Favored 'General case' 0 N--CA 1.486 1.339 0 N-CA-C 107.016 -1.476 . . . . 0.0 107.016 -179.666 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 6.9 t -128.39 130.01 69.14 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 120.879 -1.138 . . . . 0.0 108.048 178.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.4 168.65 10.43 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.12 -0.987 . . . . 0.0 108.789 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.26 -32.09 69.68 Favored 'General case' 0 N--CA 1.492 1.666 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.644 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -74.54 -29.24 61.3 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.443 -1.411 . . . . 0.0 109.933 179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.426 ' O ' ' CG2' ' A' ' 76' ' ' VAL . 92.4 mt-10 -83.35 -36.85 24.06 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-O 122.133 0.968 . . . . 0.0 109.385 179.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.05 -44.24 48.79 Favored 'General case' 0 C--N 1.294 -1.817 0 CA-C-O 121.98 0.895 . . . . 0.0 110.956 -178.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.805 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -60.03 -40.06 82.11 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.919 0 O-C-N 121.508 -0.745 . . . . 0.0 109.984 -177.577 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.426 ' CG2' ' O ' ' A' ' 73' ' ' GLU . 10.9 m -61.84 -30.75 49.16 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 C-N-CA 118.552 -1.259 . . . . 0.0 109.354 178.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -69.98 -58.22 4.1 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 121.309 -0.869 . . . . 0.0 111.734 -178.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.511 ' O ' HG22 ' A' ' 82' ' ' THR . 20.8 m -58.7 -31.12 43.58 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 O-C-N 121.192 -0.942 . . . . 0.0 110.07 -179.143 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.845 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -71.87 -40.13 69.17 Favored 'General case' 0 C--N 1.286 -2.193 0 CA-C-O 121.82 0.819 . . . . 0.0 111.013 179.522 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.404 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.95 -26.64 48.93 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.364 0.875 . . . . 0.0 113.364 -176.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.779 HD22 HD11 ' A' ' 45' ' ' LEU . 3.0 pp -85.19 -39.59 17.65 Favored 'General case' 0 N--CA 1.501 2.112 0 O-C-N 119.908 -1.745 . . . . 0.0 110.433 -179.551 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.52 HG23 ' H ' ' A' ' 83' ' ' VAL . 1.7 t -54.02 -49.93 67.79 Favored 'General case' 0 N--CA 1.504 2.247 0 O-C-N 121.057 -1.027 . . . . 0.0 109.435 178.04 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.52 ' H ' HG23 ' A' ' 82' ' ' THR . 10.4 m -55.68 -40.24 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 CA-C-O 121.891 0.853 . . . . 0.0 108.825 177.031 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.438 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -65.29 -22.64 66.87 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.653 -0.654 . . . . 0.0 109.821 -179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 23.9 t -69.84 -40.01 76.08 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.187 -0.945 . . . . 0.0 110.629 -178.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.608 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.8 OUTLIER -66.4 -40.2 89.47 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.75 -1.219 . . . . 0.0 109.413 179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.608 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 26.3 t-20 -65.62 -37.76 87.5 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.475 -0.766 . . . . 0.0 110.734 -179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.419 ' CE1' ' OE2' ' A' ' 91' ' ' GLU . 21.4 t80 -88.61 -6.84 57.26 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.343 -0.848 . . . . 0.0 110.458 -177.819 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -94.99 -19.87 19.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.06 -1.025 . . . . 0.0 109.831 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -87.9 -14.77 38.48 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 121.211 -0.93 . . . . 0.0 110.596 -179.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.419 ' OE2' ' CE1' ' A' ' 88' ' ' PHE . 14.6 pt-20 -74.96 156.79 35.92 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.611 -1.306 . . . . 0.0 109.069 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.4 m120 53.75 29.92 10.35 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.412 -0.805 . . . . 0.0 108.975 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.7 m . . . . . 0 N--CA 1.489 1.507 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.526 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.531 4.999 0 N-CA-C 119.046 2.378 . . . . 0.0 119.046 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 83.4 p -107.03 -104.24 0.34 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.704 -1.468 . . . . 0.0 110.201 -179.571 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.9 -43.0 95.07 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.646 -1.284 . . . . 0.0 111.583 -176.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 24.9 mt -69.74 -41.23 75.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.795 -1.191 . . . . 0.0 111.425 -178.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 11.1 tm-20 -67.05 -36.66 82.54 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 120.611 -1.306 . . . . 0.0 109.357 -178.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 97.3 m -59.91 -47.53 85.41 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.417 -0.802 . . . . 0.0 110.312 179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -27.35 64.66 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 113.114 0.783 . . . . 0.0 113.114 -178.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.448 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.5 ppp? -75.36 -45.03 41.84 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 119.985 -1.697 . . . . 0.0 109.827 -178.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -71.43 -36.51 71.32 Favored 'General case' 0 C--N 1.3 -1.544 0 O-C-N 121.246 -0.909 . . . . 0.0 111.051 -179.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.492 ' O ' ' N ' ' B' ' 13' ' ' ASN . 0.6 OUTLIER -61.06 -55.13 36.28 Favored 'General case' 0 N--CA 1.486 1.336 0 O-C-N 120.578 -1.326 . . . . 0.0 109.855 -178.724 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.442 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.9 mp -47.96 -40.14 21.4 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.246 -1.534 . . . . 0.0 108.228 178.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 94.2 mt -63.77 -28.06 44.19 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.874 0 O-C-N 120.78 -1.2 . . . . 0.0 109.391 178.476 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' B' ' 10' ' ' THR . 60.5 t-20 -76.31 -55.98 5.06 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 121.028 -1.045 . . . . 0.0 112.0 179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.483 ' CG1' ' N ' ' B' ' 15' ' ' PHE . 2.8 p -62.3 -46.23 96.92 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.344 0 O-C-N 121.414 -0.804 . . . . 0.0 110.356 -178.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.483 ' N ' ' CG1' ' B' ' 14' ' ' VAL . 19.9 m-85 -59.88 -40.0 87.23 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.218 -0.926 . . . . 0.0 109.853 -179.365 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 19.9 m170 -60.34 -38.44 83.8 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 119.956 -1.715 . . . . 0.0 109.745 179.568 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.09 -56.47 21.75 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.484 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.407 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 87.2 m-70 -82.92 -41.7 18.57 Favored 'General case' 0 N--CA 1.501 2.106 0 O-C-N 120.625 -1.297 . . . . 0.0 111.769 -177.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 11.2 p -60.52 -33.69 73.0 Favored 'General case' 0 C--N 1.295 -1.784 0 N-CA-C 113.305 0.854 . . . . 0.0 113.305 -178.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -101.39 10.08 57.77 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.713 -1.242 . . . . 0.0 110.965 -177.461 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 25.9 ttpp -122.85 -71.09 0.74 Allowed 'General case' 0 N--CA 1.502 2.151 0 O-C-N 121.289 -1.124 . . . . 0.0 109.981 -179.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.457 ' O ' ' CG ' ' B' ' 32' ' ' GLU . 70.4 mm-40 -78.11 51.04 0.95 Allowed 'General case' 0 C--N 1.293 -1.876 0 O-C-N 120.782 -1.199 . . . . 0.0 109.34 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.76 -142.35 7.21 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.302 -1.428 . . . . 0.0 111.746 179.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -83.35 158.05 22.32 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.751 -0.852 . . . . 0.0 110.929 -179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 37.6 mmtm -52.16 -59.9 3.83 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.678 -0.639 . . . . 0.0 111.018 -179.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -114.9 25.92 10.56 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 121.244 -0.91 . . . . 0.0 112.019 -177.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.4 tttt -140.16 146.3 38.62 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.685 -1.259 . . . . 0.0 108.515 179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.415 HD21 ' N ' ' B' ' 33' ' ' LEU . 0.3 OUTLIER -93.86 165.08 12.85 Favored 'General case' 0 C--N 1.295 -1.783 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.8 -177.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.501 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 73.1 m -131.84 162.17 31.2 Favored 'General case' 0 N--CA 1.502 2.126 0 O-C-N 120.982 -1.074 . . . . 0.0 111.125 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 19.9 tptm -47.68 -38.27 14.68 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 119.892 -0.723 . . . . 0.0 111.31 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 18.0 ttpt -80.09 -27.39 39.28 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 119.639 -1.913 . . . . 0.0 110.34 -178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.501 ' HB2' ' H ' ' B' ' 29' ' ' SER . 51.6 mt-10 -69.12 -40.3 78.39 Favored 'General case' 0 C--N 1.288 -2.108 0 O-C-N 121.093 -1.004 . . . . 0.0 110.199 -179.232 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.415 ' N ' HD21 ' B' ' 28' ' ' LEU . 3.2 pp -66.71 -41.13 88.45 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.148 -0.97 . . . . 0.0 110.868 -179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 mtpt -59.97 -40.09 87.86 Favored 'General case' 0 N--CA 1.5 2.065 0 C-N-CA 119.801 -0.76 . . . . 0.0 112.151 -178.521 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 36' ' ' LEU . 1.8 p30 -80.75 -34.04 34.62 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.654 -1.278 . . . . 0.0 111.377 -178.261 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.478 HD11 HG22 ' B' ' 14' ' ' VAL . 30.9 tp -61.62 -51.47 68.36 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 120.696 -1.252 . . . . 0.0 109.219 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -70.15 -41.69 73.51 Favored 'General case' 0 N--CA 1.491 1.612 0 CA-C-O 121.899 0.857 . . . . 0.0 111.223 -179.127 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 18.9 tm0? -69.53 -40.15 77.08 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 121.787 0.803 . . . . 0.0 111.829 -177.851 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 93.6 m -59.87 -49.82 76.2 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.477 -0.765 . . . . 0.0 111.586 -176.13 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -99.81 -17.03 17.86 Favored 'General case' 0 N--CA 1.5 2.025 0 O-C-N 121.056 -1.028 . . . . 0.0 111.732 -177.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 88.6 mt -135.5 57.61 1.79 Allowed 'General case' 0 N--CA 1.505 2.3 0 O-C-N 120.779 -1.201 . . . . 0.0 110.347 -179.35 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 99.8 p -69.95 -42.38 73.28 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.085 -1.009 . . . . 0.0 110.177 179.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 38.7 t -72.31 -43.19 64.52 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.382 -0.823 . . . . 0.0 112.069 -178.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.542 ' O ' ' C ' ' B' ' 45' ' ' LEU . 36.6 t80 -82.82 -92.78 0.07 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.479 -1.388 . . . . 0.0 112.312 -178.349 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.821 HD11 HD22 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -31.47 136.48 0.05 Allowed 'General case' 0 N--CA 1.515 2.824 0 CA-C-O 116.889 -1.529 . . . . 0.0 107.988 -174.679 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.539 ' OD1' ' O ' ' B' ' 46' ' ' ASP . 52.6 p-10 -91.28 109.33 20.6 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 124.957 3.526 . . . . 0.0 109.936 179.57 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.49 HG23 ' N ' ' B' ' 48' ' ' GLN . 13.3 m -144.92 -40.52 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.434 -1.416 . . . . 0.0 110.333 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.49 ' N ' HG23 ' B' ' 47' ' ' VAL . 0.0 OUTLIER -97.14 -44.21 7.05 Favored 'General case' 0 N--CA 1.501 2.087 0 O-C-N 121.15 -0.969 . . . . 0.0 111.65 -178.014 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.44 ' NZ ' HD13 ' Y' ' 5' ' ' ILE . 52.8 mtmt -66.36 -19.39 65.79 Favored 'General case' 0 C--N 1.297 -1.674 0 N-CA-C 108.115 -1.069 . . . . 0.0 108.115 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -140.09 88.14 2.2 Favored 'General case' 0 C--N 1.298 -1.666 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 179.184 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.73 -36.87 77.47 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.481 -0.762 . . . . 0.0 109.044 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -60.07 -39.84 87.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.172 -1.047 . . . . 0.0 108.172 177.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -57.53 -41.07 80.16 Favored 'General case' 0 C--N 1.299 -1.593 0 C-N-CA 118.871 -1.131 . . . . 0.0 109.236 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -64.3 -38.39 82.41 Favored 'Isoleucine or valine' 0 C--O 1.201 -1.499 0 O-C-N 120.865 -1.147 . . . . 0.0 109.083 -179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -59.87 -40.24 87.96 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.718 -1.239 . . . . 0.0 109.318 -178.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 14.5 mptt -64.51 -39.95 94.72 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.196 -0.94 . . . . 0.0 109.661 179.664 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 33.8 mt -67.97 -55.88 15.02 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 121.686 -0.634 . . . . 0.0 111.664 -178.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.08 -39.66 86.89 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.2 -0.938 . . . . 0.0 109.869 -179.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.49 -40.48 91.47 Favored 'General case' 0 C--N 1.287 -2.15 0 N-CA-C 106.841 -1.54 . . . . 0.0 106.841 178.726 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.452 ' OE1' ' O ' ' Y' ' 12' ' ' SER . 79.0 tt0 -65.7 -26.11 67.62 Favored 'General case' 0 C--N 1.301 -1.538 0 N-CA-C 108.313 -0.995 . . . . 0.0 108.313 179.162 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.56 ' O ' ' N ' ' B' ' 63' ' ' GLU . 5.0 mt -88.34 -29.78 20.06 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.457 -0.777 . . . . 0.0 110.286 179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.524 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 12.8 t0 -71.0 50.82 0.14 Allowed 'General case' 0 C--N 1.3 -1.587 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.879 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.56 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.9 mt-10 -60.02 -40.07 88.04 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 108.671 -0.863 . . . . 0.0 108.671 -178.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 20.6 t-20 -70.29 -19.58 63.09 Favored 'General case' 0 C--N 1.307 -1.281 0 N-CA-C 105.83 -1.915 . . . . 0.0 105.83 178.281 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 84.07 32.64 22.89 Favored Glycine 0 N--CA 1.482 1.732 0 N-CA-C 110.471 -1.052 . . . . 0.0 110.471 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.524 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 11.8 m-20 -93.11 -123.77 0.09 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 106.817 -1.549 . . . . 0.0 106.817 179.235 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -159.47 22.11 0.28 Allowed Glycine 0 N--CA 1.493 2.441 0 N-CA-C 106.984 -2.446 . . . . 0.0 106.984 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.22 175.52 9.32 Favored 'General case' 0 N--CA 1.485 1.29 0 N-CA-C 106.903 -1.517 . . . . 0.0 106.903 -179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 8.7 t -128.61 130.02 68.82 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 N-CA-C 108.01 -1.107 . . . . 0.0 108.01 178.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -96.35 168.59 10.48 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.189 -0.945 . . . . 0.0 108.666 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.66 -31.74 69.83 Favored 'General case' 0 N--CA 1.49 1.529 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 179.648 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 60.4 tt0 -74.68 -29.13 61.12 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.349 -1.47 . . . . 0.0 109.901 179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.413 ' O ' ' CG2' ' B' ' 76' ' ' VAL . 93.1 mt-10 -83.55 -36.08 24.27 Favored 'General case' 0 N--CA 1.485 1.307 0 CA-C-O 122.206 1.003 . . . . 0.0 109.441 179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 1.5 t80 -75.86 -44.48 40.51 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.228 -0.92 . . . . 0.0 110.855 -178.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.845 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.8 p -59.87 -40.1 81.85 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.988 0 O-C-N 121.486 -0.759 . . . . 0.0 109.931 -177.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.452 ' N ' HG13 ' B' ' 75' ' ' VAL . 11.5 m -61.71 -30.66 48.82 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.62 0 C-N-CA 118.513 -1.275 . . . . 0.0 109.476 178.613 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -70.09 -58.06 4.24 Favored 'General case' 0 N--CA 1.505 2.298 0 O-C-N 121.322 -0.861 . . . . 0.0 111.781 -178.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.524 ' O ' HG22 ' B' ' 82' ' ' THR . 18.3 m -58.71 -31.08 43.52 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.25 -0.906 . . . . 0.0 110.049 -179.171 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.805 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -71.71 -40.06 69.73 Favored 'General case' 0 C--N 1.287 -2.132 0 CA-C-O 121.7 0.762 . . . . 0.0 111.003 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' B' ' 83' ' ' VAL . . . -77.81 -26.77 49.79 Favored 'General case' 0 C--N 1.299 -1.613 0 N-CA-C 113.145 0.794 . . . . 0.0 113.145 -176.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.821 HD22 HD11 ' B' ' 45' ' ' LEU . 2.9 pp -85.11 -40.08 17.18 Favored 'General case' 0 N--CA 1.503 2.2 0 O-C-N 119.874 -1.766 . . . . 0.0 110.194 -179.436 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.524 HG22 ' O ' ' B' ' 78' ' ' VAL . 1.8 t -53.82 -49.75 67.69 Favored 'General case' 0 N--CA 1.505 2.303 0 O-C-N 120.78 -1.2 . . . . 0.0 109.449 178.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.498 ' H ' HG23 ' B' ' 82' ' ' THR . 13.8 m -55.83 -40.31 60.99 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.286 -0.884 . . . . 0.0 109.006 177.182 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.431 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -65.82 -22.2 66.54 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.522 -0.736 . . . . 0.0 109.637 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 26.6 t -69.92 -39.88 75.9 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 119.277 -0.969 . . . . 0.0 110.536 -178.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.602 ' ND2' ' N ' ' B' ' 87' ' ' ASN . 0.8 OUTLIER -66.27 -40.05 89.84 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.7 -1.25 . . . . 0.0 109.361 179.861 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.602 ' N ' ' ND2' ' B' ' 86' ' ' ASN . 26.4 t-20 -65.98 -37.25 85.49 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.348 -0.845 . . . . 0.0 110.861 -179.793 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.421 ' CE1' ' OE2' ' B' ' 91' ' ' GLU . 20.8 t80 -88.68 -6.96 57.12 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.293 -0.88 . . . . 0.0 110.514 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -94.83 -19.9 19.92 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.027 -1.045 . . . . 0.0 109.769 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -87.93 -14.78 38.37 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.154 -0.966 . . . . 0.0 110.635 -179.325 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.421 ' OE2' ' CE1' ' B' ' 88' ' ' PHE . 14.5 pt-20 -74.86 156.83 36.02 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.747 -1.221 . . . . 0.0 109.125 179.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 33.7 m120 53.6 29.93 10.04 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.522 -0.736 . . . . 0.0 109.023 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.453 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 N--CA 1.491 1.588 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 91.7 mtt180 -78.49 148.8 33.33 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.157 -0.964 . . . . 0.0 109.778 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 1.1 m 67.54 -0.03 2.04 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.397 -0.814 . . . . 0.0 110.019 179.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? -89.8 142.49 27.64 Favored 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.075 -1.016 . . . . 0.0 108.914 179.576 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.473 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 2.1 pt -119.53 125.49 74.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 -179.824 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 47.3 p-10 -116.57 14.15 15.43 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.247 -0.908 . . . . 0.0 109.749 -179.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.683 ' O ' HG22 ' X' ' 10' ' ' ILE . 41.9 t90 -60.12 -51.08 71.12 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.971 -1.081 . . . . 0.0 110.842 -179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.646 ' OD1' HD22 ' A' ' 81' ' ' LEU . 2.2 t30 -52.07 -32.41 34.6 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 119.763 -1.835 . . . . 0.0 108.111 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.528 ' O ' ' N ' ' X' ' 12' ' ' SER . 23.8 ttpp -61.66 -24.48 66.77 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 178.139 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.683 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.9 tt -48.78 -38.07 9.65 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 N-CA-C 106.989 -1.485 . . . . 0.0 106.989 178.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.419 ' N ' ' CG2' ' X' ' 10' ' ' ILE . 56.0 tp -68.54 -39.96 80.9 Favored 'General case' 0 C--N 1.299 -1.601 0 N-CA-C 107.392 -1.336 . . . . 0.0 107.392 177.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.528 ' N ' ' O ' ' X' ' 9' ' ' LYS . 3.3 m . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 117.96 -1.019 . . . . 0.0 109.211 179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . 0.53 ' OG1' ' N ' ' Y' ' 2' ' ' ARG . 1.8 t . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.366 -0.605 . . . . 0.0 109.366 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.53 ' N ' ' OG1' ' Y' ' 1' ' ' THR . 60.3 ttt85 -59.99 -45.19 93.54 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.236 -0.915 . . . . 0.0 108.917 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 13.9 t -154.4 161.83 41.5 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.302 -0.873 . . . . 0.0 109.078 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.478 ' O ' ' O ' ' Y' ' 5' ' ' ILE . 0.0 OUTLIER -117.53 37.44 3.91 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.594 -0.692 . . . . 0.0 109.371 -179.791 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.504 ' CG1' ' O ' ' Y' ' 5' ' ' ILE . 0.1 OUTLIER 47.96 101.71 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.112 0 CA-C-O 122.214 1.007 . . . . 0.0 109.291 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 17.8 p-10 -105.77 17.2 24.09 Favored 'General case' 0 N--CA 1.501 2.08 0 O-C-N 120.704 -1.247 . . . . 0.0 108.782 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.705 ' O ' HG22 ' Y' ' 10' ' ' ILE . 49.9 t90 -60.07 -49.97 75.56 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.548 -0.72 . . . . 0.0 110.734 -179.259 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.654 ' CG ' HD11 ' B' ' 57' ' ' ILE . 11.9 t-20 -52.23 -37.17 54.41 Favored 'General case' 0 C--N 1.295 -1.776 0 O-C-N 119.918 -1.739 . . . . 0.0 108.987 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.43 ' O ' ' O ' ' Y' ' 12' ' ' SER . 28.1 ttmt -56.36 -24.7 45.93 Favored 'General case' 0 C--N 1.295 -1.762 0 N-CA-C 106.938 -1.505 . . . . 0.0 106.938 179.171 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.705 HG22 ' O ' ' Y' ' 7' ' ' TRP . 7.3 tt -53.33 -31.99 19.16 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 N-CA-C 105.909 -1.886 . . . . 0.0 105.909 177.066 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.645 HD21 ' HB1' ' B' ' 80' ' ' ALA . 0.8 OUTLIER -63.7 -40.9 97.93 Favored 'General case' 0 C--N 1.304 -1.37 0 N-CA-C 108.036 -1.098 . . . . 0.0 108.036 178.715 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . 0.43 ' O ' ' O ' ' Y' ' 9' ' ' LYS . 54.5 p . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.36 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.49 ' N ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.79 0 N-CA-C 119.545 2.578 . . . . 0.0 119.545 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.2 p -75.24 165.4 25.25 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.104 -1.233 . . . . 0.0 108.963 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 39.9 mp0 -59.99 -43.04 95.4 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.153 -0.967 . . . . 0.0 111.177 -178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.9 mt -61.94 -39.97 93.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.356 -1.465 . . . . 0.0 110.124 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.49 ' OE1' ' N ' ' A' ' 1' ' ' GLY . 98.7 mt-10 -64.27 -33.13 75.1 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.864 -1.148 . . . . 0.0 109.438 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.9 m -59.91 -45.4 92.69 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-O 121.842 0.829 . . . . 0.0 109.858 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.67 -32.05 70.46 Favored 'General case' 0 N--CA 1.489 1.516 0 N-CA-C 113.084 0.772 . . . . 0.0 113.084 -177.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -71.74 -49.72 36.62 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.517 -1.364 . . . . 0.0 110.623 -177.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -69.98 -36.02 74.87 Favored 'General case' 0 C--N 1.293 -1.887 0 O-C-N 121.693 -0.63 . . . . 0.0 111.481 -177.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -62.83 -54.7 34.79 Favored 'General case' 0 N--CA 1.487 1.408 0 O-C-N 120.787 -1.195 . . . . 0.0 110.086 -178.652 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.463 ' N ' ' CG2' ' A' ' 10' ' ' THR . 7.7 mp -47.83 -39.79 19.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.468 -1.395 . . . . 0.0 108.506 178.82 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -65.8 -40.08 86.66 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.762 0 O-C-N 121.443 -0.786 . . . . 0.0 112.041 -179.193 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -80.06 -49.09 12.27 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 119.886 -1.758 . . . . 0.0 112.731 -177.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.0 p -61.33 -37.48 77.73 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 120.548 -1.345 . . . . 0.0 108.823 -178.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 74' ' ' PHE . 4.8 m-30 -59.98 -39.76 86.82 Favored 'General case' 0 N--CA 1.5 2.06 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 177.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.12 -32.99 74.76 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.222 -0.924 . . . . 0.0 110.762 179.068 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.05 -52.98 62.33 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.013 -1.055 . . . . 0.0 112.159 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 17.4 m80 -80.26 -43.35 21.51 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 121.065 -1.022 . . . . 0.0 111.652 -178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 20.1 p -60.03 -24.6 64.65 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 113.638 0.977 . . . . 0.0 113.638 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.89 5.41 61.71 Favored Glycine 0 N--CA 1.499 2.879 0 O-C-N 120.493 -1.379 . . . . 0.0 112.326 -176.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -122.74 -61.97 1.4 Allowed 'General case' 0 N--CA 1.507 2.375 0 CA-C-N 119.335 1.567 . . . . 0.0 110.168 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -89.94 41.07 1.03 Allowed 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.862 -1.149 . . . . 0.0 110.49 -178.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.69 -152.99 9.3 Favored Glycine 0 N--CA 1.491 2.316 0 C-N-CA 119.399 -1.381 . . . . 0.0 110.387 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -86.02 161.88 18.74 Favored 'General case' 0 N--CA 1.486 1.362 0 N-CA-C 108.275 -1.009 . . . . 0.0 108.275 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -54.79 -50.03 69.5 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.21 -0.931 . . . . 0.0 111.657 -177.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.548 ' CG ' ' O ' ' A' ' 26' ' ' TYR . 84.6 t80 -116.86 23.74 11.72 Favored 'General case' 0 N--CA 1.51 2.551 0 O-C-N 120.647 -1.283 . . . . 0.0 112.605 -177.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 61.9 tttt -137.11 144.39 43.02 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 120.356 -1.465 . . . . 0.0 109.223 178.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.0 tp -92.09 163.14 14.07 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 -179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.579 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.9 p -132.12 164.38 26.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.123 -0.986 . . . . 0.0 110.48 -179.377 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 22.9 tptp -48.69 -39.96 26.45 Favored 'General case' 0 N--CA 1.5 2.039 0 O-C-N 121.353 -0.842 . . . . 0.0 111.573 179.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' NZ ' ' CB ' ' A' ' 31' ' ' LYS . 1.7 ttpm? -78.56 -29.64 46.39 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 119.737 -1.852 . . . . 0.0 110.056 -178.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' HB2' ' H ' ' A' ' 29' ' ' SER . 59.1 mt-10 -69.96 -40.03 75.65 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.966 -1.084 . . . . 0.0 111.298 179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.65 -41.7 99.19 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.321 -1.487 . . . . 0.0 109.177 179.043 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.9 mtpt -64.06 -39.96 95.22 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.14 -0.975 . . . . 0.0 112.741 -178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -75.39 -43.77 48.32 Favored 'General case' 0 N--CA 1.502 2.138 0 O-C-N 120.808 -1.182 . . . . 0.0 112.449 -177.161 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 48.3 tp -62.13 -48.28 80.8 Favored 'General case' 0 C--N 1.288 -2.093 0 O-C-N 121.345 -0.847 . . . . 0.0 110.689 -178.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.83 HD12 HD22 ' A' ' 45' ' ' LEU . 3.7 mm? -70.63 -48.73 53.58 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.245 0.832 . . . . 0.0 113.245 -177.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CG ' ' N ' ' A' ' 39' ' ' THR . 11.5 pt20 -63.93 -39.99 95.43 Favored 'General case' 0 N--CA 1.496 1.84 0 CA-C-O 121.878 0.846 . . . . 0.0 112.749 -176.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.47 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 95.8 m -56.74 -44.17 81.43 Favored 'General case' 0 C--N 1.298 -1.641 0 C-N-CA 119.75 -0.78 . . . . 0.0 110.34 -176.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -99.49 -15.13 18.79 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.29 -0.881 . . . . 0.0 111.004 -178.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 68.7 mt -135.41 43.37 2.64 Favored 'General case' 0 N--CA 1.505 2.302 0 O-C-N 121.059 -1.026 . . . . 0.0 108.866 178.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.489 ' O ' ' CE ' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -60.2 -52.06 66.93 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.349 -0.845 . . . . 0.0 110.683 -179.699 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 26.2 t -68.74 -37.22 79.27 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.389 -0.819 . . . . 0.0 111.474 -178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.553 ' O ' ' C ' ' A' ' 45' ' ' LEU . 39.8 t80 -82.81 -108.81 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.678 -1.264 . . . . 0.0 111.652 -178.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.83 HD22 HD12 ' A' ' 37' ' ' LEU . 0.5 OUTLIER -9.96 132.96 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.958 0 CA-C-O 115.293 -2.289 . . . . 0.0 110.087 177.8 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.473 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 57.2 t0 -91.23 111.73 23.33 Favored 'General case' 0 N--CA 1.522 3.125 1 CA-C-N 127.404 4.638 . . . . 0.0 109.641 176.168 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.52 HG23 ' N ' ' A' ' 48' ' ' GLN . 22.5 m -141.18 -43.43 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.506 2.344 0 O-C-N 120.697 -1.252 . . . . 0.0 110.114 178.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.52 ' N ' HG23 ' A' ' 47' ' ' VAL . 6.8 mm100 -90.78 -54.41 3.99 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 121.02 -1.05 . . . . 0.0 111.925 -178.501 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.513 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -50.0 -60.03 3.32 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 120.816 -1.177 . . . . 0.0 108.201 -178.662 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 53.5 t0 -97.53 93.95 6.73 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.288 -1.004 . . . . 0.0 108.288 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.0 -38.23 82.02 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.043 -1.036 . . . . 0.0 108.459 -179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.5 t0 -57.97 -35.33 71.02 Favored 'General case' 0 C--N 1.301 -1.515 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 178.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.78 -41.08 94.84 Favored 'General case' 0 N--CA 1.488 1.426 0 C-N-CA 118.786 -1.166 . . . . 0.0 109.499 -177.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.64 -32.48 55.63 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.988 -1.07 . . . . 0.0 108.562 179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 56.8 t0 -67.19 -40.06 86.46 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.024 -1.048 . . . . 0.0 110.197 -178.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.77 -39.97 79.93 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.235 -0.916 . . . . 0.0 109.943 -178.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.587 HD11 HD22 ' X' ' 8' ' ' ASN . 97.6 mt -69.12 -57.08 9.64 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.808 0 CA-C-O 121.672 0.749 . . . . 0.0 111.159 -178.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.489 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.7 OUTLIER -61.86 -38.25 87.53 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.573 0.701 . . . . 0.0 110.416 -178.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.7 tmtt? -60.12 -46.62 89.03 Favored 'General case' 0 C--N 1.289 -2.03 0 N-CA-C 107.912 -1.144 . . . . 0.0 107.912 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -66.41 -27.26 67.7 Favored 'General case' 0 C--N 1.292 -1.911 0 N-CA-C 107.345 -1.354 . . . . 0.0 107.345 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.725 HD11 ' O ' ' A' ' 73' ' ' GLU . 13.3 tp -79.41 -39.96 31.14 Favored 'General case' 0 N--CA 1.489 1.489 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.892 -179.328 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' N ' ' O ' ' A' ' 58' ' ' MET . 88.5 m-20 -69.04 58.63 0.1 Allowed 'General case' 0 N--CA 1.487 1.403 0 N-CA-C 107.695 -1.224 . . . . 0.0 107.695 -179.78 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.538 ' N ' ' O ' ' A' ' 61' ' ' LEU . 98.8 mt-10 -59.98 -40.05 87.8 Favored 'General case' 0 C--N 1.298 -1.669 0 CA-C-N 115.458 -0.792 . . . . 0.0 108.888 -178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -73.53 -20.07 60.74 Favored 'General case' 0 C--N 1.297 -1.679 0 N-CA-C 107.041 -1.466 . . . . 0.0 107.041 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.96 51.95 Favored Glycine 0 N--CA 1.487 2.075 0 N-CA-C 108.325 -1.91 . . . . 0.0 108.325 -179.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 49.7 p-10 -94.34 -4.9 47.74 Favored 'General case' 0 N--CA 1.507 2.419 0 O-C-N 121.364 -1.08 . . . . 0.0 112.09 -177.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.63 8.16 75.95 Favored Glycine 0 N--CA 1.502 3.067 0 N-CA-C 109.466 -1.453 . . . . 0.0 109.466 -179.425 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -134.17 175.29 9.62 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 105.85 -1.908 . . . . 0.0 105.85 179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 3.9 t -128.52 129.89 68.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.891 0 O-C-N 120.616 -1.302 . . . . 0.0 108.504 179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 52.3 t0 -92.61 163.94 13.6 Favored 'General case' 0 C--N 1.299 -1.625 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.6 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 53.4 t80 -58.65 -33.81 70.5 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 121.495 -0.753 . . . . 0.0 108.975 -178.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 76' ' ' VAL . 1.4 tm0? -70.4 -31.26 68.4 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.978 -1.076 . . . . 0.0 109.382 178.365 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.725 ' O ' HD11 ' A' ' 61' ' ' LEU . 42.4 mt-10 -78.74 -49.35 13.21 Favored 'General case' 0 C--N 1.302 -1.476 0 CA-C-O 121.978 0.895 . . . . 0.0 109.777 -179.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.647 ' CE2' ' CE2' ' A' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.4 84.49 Favored 'General case' 0 C--N 1.295 -1.789 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.361 -178.16 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.651 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.2 t -59.27 -35.5 58.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 120.3 -1.5 . . . . 0.0 109.363 -179.444 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.3 t -59.95 -34.97 58.09 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.624 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.407 HD12 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -60.04 -58.26 9.29 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 121.619 -0.676 . . . . 0.0 112.203 -178.455 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 82' ' ' THR . 12.4 m -59.9 -39.81 81.08 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.192 0 O-C-N 121.397 -0.815 . . . . 0.0 111.091 -178.194 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.666 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -62.52 -39.93 95.14 Favored 'General case' 0 C--N 1.292 -1.918 0 O-C-N 121.159 -0.963 . . . . 0.0 110.201 179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.441 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -76.51 -24.71 53.72 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -176.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.646 HD22 ' OD1' ' X' ' 8' ' ' ASN . 95.5 mt -86.33 -40.08 15.82 Favored 'General case' 0 N--CA 1.512 2.651 0 O-C-N 119.674 -1.891 . . . . 0.0 110.442 -179.741 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.512 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 5.0 t -59.16 -40.49 85.75 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 120.712 -1.242 . . . . 0.0 109.256 178.751 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' A' ' 80' ' ' ALA . 18.7 m -60.0 -40.02 81.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 120.908 -1.12 . . . . 0.0 109.239 177.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.546 ' HB3' ' CZ2' ' X' ' 7' ' ' TRP . . . -60.02 -25.53 65.37 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 108.922 -0.77 . . . . 0.0 108.922 179.697 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.512 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.3 p -76.85 -40.14 48.76 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.123 -0.986 . . . . 0.0 109.812 -179.157 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.478 ' N ' ' SG ' ' A' ' 85' ' ' CYS . 53.7 t-20 -60.46 -40.13 90.07 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.286 -0.884 . . . . 0.0 109.205 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -63.89 -40.04 95.58 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.244 -0.91 . . . . 0.0 109.014 179.374 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.486 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 71.0 t80 -84.19 -1.62 55.43 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.545 -0.722 . . . . 0.0 109.263 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.497 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 64.5 t80 -83.19 -10.07 58.81 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.461 -0.775 . . . . 0.0 109.852 179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.1 p-90 -60.6 -7.91 2.5 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.058 -1.026 . . . . 0.0 109.476 -179.41 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -60.26 -31.86 70.61 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.321 -0.862 . . . . 0.0 109.172 179.352 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -70.09 -20.45 63.2 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.408 -0.807 . . . . 0.0 109.551 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 69.6 m . . . . . 0 N--CA 1.492 1.663 0 CA-C-O 117.976 -1.012 . . . . 0.0 109.326 -179.893 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.495 ' N ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.528 4.815 0 N-CA-C 119.582 2.593 . . . . 0.0 119.582 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.2 p -75.36 165.5 25.06 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.171 -1.194 . . . . 0.0 108.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 39.8 mp0 -59.99 -42.87 95.16 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.214 -0.929 . . . . 0.0 111.296 -178.658 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.2 mt -62.1 -40.02 94.46 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 120.417 -1.427 . . . . 0.0 110.088 -179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.495 ' OE1' ' N ' ' B' ' 1' ' ' GLY . 98.3 mt-10 -64.04 -33.24 75.29 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 120.926 -1.109 . . . . 0.0 109.536 179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 93.7 m -60.0 -45.13 93.75 Favored 'General case' 0 C--N 1.3 -1.578 0 CA-C-O 121.873 0.844 . . . . 0.0 109.973 -179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.97 -31.87 69.81 Favored 'General case' 0 N--CA 1.489 1.479 0 N-CA-C 113.107 0.78 . . . . 0.0 113.107 -177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -71.69 -49.72 36.96 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 120.604 -1.31 . . . . 0.0 110.657 -177.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -69.99 -36.4 75.14 Favored 'General case' 0 C--N 1.29 -1.979 0 O-C-N 121.747 -0.595 . . . . 0.0 111.493 -177.48 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.468 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -62.5 -54.83 34.11 Favored 'General case' 0 N--CA 1.487 1.396 0 O-C-N 120.769 -1.207 . . . . 0.0 110.097 -178.723 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.468 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.7 mp -47.91 -39.5 19.15 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.431 -1.418 . . . . 0.0 108.609 178.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.1 mt -65.99 -40.0 86.12 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.736 0 O-C-N 121.515 -0.741 . . . . 0.0 112.056 -179.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 94.3 m-20 -80.11 -49.04 12.28 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 119.931 -1.731 . . . . 0.0 112.802 -178.082 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.9 p -61.39 -37.56 77.97 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.399 0 O-C-N 120.557 -1.339 . . . . 0.0 108.792 -178.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.64 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 4.9 m-30 -59.91 -39.82 86.72 Favored 'General case' 0 N--CA 1.5 2.064 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 177.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 59.8 t-80 -64.19 -32.84 74.57 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 121.176 -0.952 . . . . 0.0 110.675 179.191 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -56.12 -53.07 61.45 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.964 -1.085 . . . . 0.0 112.153 -178.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 17.6 m80 -80.15 -43.51 21.51 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 121.079 -1.013 . . . . 0.0 111.717 -178.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.6 p -59.94 -24.61 64.51 Favored 'General case' 0 N--CA 1.497 1.885 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.86 5.2 61.64 Favored Glycine 0 N--CA 1.5 2.922 0 O-C-N 120.547 -1.345 . . . . 0.0 112.27 -176.784 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.1 mptp? -122.75 -61.72 1.42 Allowed 'General case' 0 N--CA 1.505 2.302 0 CA-C-N 119.385 1.592 . . . . 0.0 110.2 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -90.06 40.73 1.02 Allowed 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.83 -1.168 . . . . 0.0 110.461 -178.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -173.42 -152.74 9.05 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.408 -1.377 . . . . 0.0 110.463 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -85.97 161.86 18.8 Favored 'General case' 0 N--CA 1.487 1.388 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 178.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 71.2 mmtt -54.86 -49.99 69.76 Favored 'General case' 0 C--N 1.296 -1.743 0 O-C-N 121.225 -0.922 . . . . 0.0 111.688 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' B' ' 26' ' ' TYR . 84.2 t80 -116.67 23.35 12.06 Favored 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.618 -1.301 . . . . 0.0 112.708 -177.419 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 63.0 tttt -137.07 144.21 43.03 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.286 -1.509 . . . . 0.0 109.237 178.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 9.1 tp -91.82 163.17 14.15 Favored 'General case' 0 C--N 1.295 -1.778 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 -179.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.573 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 91.1 p -132.06 164.49 26.12 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.102 -0.999 . . . . 0.0 110.524 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.422 ' HG3' ' HZ2' ' B' ' 30' ' ' LYS . 23.0 tptp -48.86 -39.97 27.78 Favored 'General case' 0 N--CA 1.501 2.09 0 O-C-N 121.326 -0.859 . . . . 0.0 111.446 179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.426 ' NZ ' ' CB ' ' B' ' 31' ' ' LYS . 1.8 ttpm? -78.54 -29.55 46.48 Favored 'General case' 0 N--CA 1.499 2.0 0 O-C-N 119.742 -1.849 . . . . 0.0 110.105 -178.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.573 ' HB2' ' H ' ' B' ' 29' ' ' SER . 59.1 mt-10 -70.06 -39.93 75.38 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 121.072 -1.017 . . . . 0.0 111.222 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -62.71 -41.66 99.25 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 120.343 -1.473 . . . . 0.0 109.126 179.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 22.7 mtpt -63.98 -40.06 95.53 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.159 -0.963 . . . . 0.0 112.745 -178.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -75.43 -43.7 48.37 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 120.768 -1.207 . . . . 0.0 112.442 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.2 tp -62.23 -48.19 81.08 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 121.313 -0.867 . . . . 0.0 110.651 -178.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.794 HD12 HD22 ' B' ' 45' ' ' LEU . 3.7 mm? -70.83 -48.7 52.6 Favored 'General case' 0 N--CA 1.496 1.846 0 N-CA-C 113.055 0.761 . . . . 0.0 113.055 -177.698 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.468 ' CG ' ' N ' ' B' ' 39' ' ' THR . 11.5 pt20 -63.67 -40.05 95.87 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.919 0.866 . . . . 0.0 112.775 -176.407 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.468 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.2 m -56.81 -44.54 82.09 Favored 'General case' 0 C--N 1.298 -1.653 0 C-N-CA 119.702 -0.799 . . . . 0.0 110.328 -176.087 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 93.1 mt-10 -99.13 -15.22 19.05 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.358 -0.839 . . . . 0.0 111.1 -178.212 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -135.32 43.31 2.66 Favored 'General case' 0 N--CA 1.505 2.299 0 O-C-N 121.034 -1.041 . . . . 0.0 108.837 178.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.479 ' O ' ' CE ' ' B' ' 49' ' ' LYS . 0.4 OUTLIER -60.21 -52.08 66.82 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.374 -0.829 . . . . 0.0 110.69 -179.627 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 26.3 t -69.04 -36.45 77.72 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.285 -0.885 . . . . 0.0 111.445 -178.046 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.488 ' O ' ' C ' ' B' ' 45' ' ' LEU . 40.6 t80 -83.84 -94.57 0.07 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.734 -1.229 . . . . 0.0 113.141 -177.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.794 HD22 HD12 ' B' ' 37' ' ' LEU . 0.8 OUTLIER -34.22 140.12 0.07 Allowed 'General case' 0 N--CA 1.508 2.453 0 CA-C-O 117.139 -1.41 . . . . 0.0 108.804 -174.567 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 54.9 t0 -91.26 110.99 22.29 Favored 'General case' 0 N--CA 1.51 2.553 0 CA-C-N 124.658 3.39 . . . . 0.0 109.122 178.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.517 HG23 ' N ' ' B' ' 48' ' ' GLN . 22.8 m -141.29 -42.96 0.22 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 120.989 -1.069 . . . . 0.0 109.807 178.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.517 ' N ' HG23 ' B' ' 47' ' ' VAL . 6.9 mm100 -91.09 -54.62 3.87 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.163 -0.961 . . . . 0.0 111.968 -178.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.492 ' CD ' ' H ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -49.93 -60.02 3.32 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 120.77 -1.206 . . . . 0.0 108.318 -178.821 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 53.4 t0 -97.51 93.88 6.7 Favored 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 108.164 -1.05 . . . . 0.0 108.164 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.24 81.85 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.986 -1.071 . . . . 0.0 108.412 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t0 -57.8 -35.76 71.27 Favored 'General case' 0 C--N 1.302 -1.474 0 N-CA-C 108.586 -0.894 . . . . 0.0 108.586 178.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.97 -42.94 95.22 Favored 'General case' 0 C--N 1.303 -1.418 0 C-N-CA 118.813 -1.155 . . . . 0.0 109.279 -177.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -61.27 -32.7 53.77 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 O-C-N 120.957 -1.089 . . . . 0.0 108.723 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.409 ' OD1' ' O ' ' B' ' 55' ' ' ASP . 56.7 t0 -67.02 -40.0 87.15 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 121.015 -1.053 . . . . 0.0 110.164 -178.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -68.66 -39.88 80.46 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-O 121.96 0.886 . . . . 0.0 110.017 -178.739 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.654 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 96.6 mt -69.35 -56.95 9.92 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 CA-C-O 121.677 0.751 . . . . 0.0 111.23 -178.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.505 ' O ' ' N ' ' B' ' 62' ' ' ASP . 0.7 OUTLIER -61.84 -38.39 88.01 Favored 'General case' 0 C--N 1.298 -1.662 0 CA-C-O 121.566 0.698 . . . . 0.0 110.431 -178.696 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 2.1 tmtt? -59.92 -46.77 88.31 Favored 'General case' 0 C--N 1.29 -2.007 0 N-CA-C 107.776 -1.194 . . . . 0.0 107.776 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 86.7 tt0 -67.34 -24.64 65.74 Favored 'General case' 0 C--N 1.294 -1.836 0 N-CA-C 107.74 -1.207 . . . . 0.0 107.74 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.73 HD11 ' O ' ' B' ' 73' ' ' GLU . 13.5 tp -81.62 -39.79 23.94 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.635 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.505 ' N ' ' O ' ' B' ' 58' ' ' MET . 88.3 m-20 -69.11 58.6 0.1 Allowed 'General case' 0 N--CA 1.485 1.321 0 N-CA-C 107.692 -1.225 . . . . 0.0 107.692 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.535 ' N ' ' O ' ' B' ' 61' ' ' LEU . 98.8 mt-10 -60.0 -40.07 87.95 Favored 'General case' 0 C--N 1.297 -1.675 0 CA-C-N 115.392 -0.822 . . . . 0.0 108.851 -178.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 25.8 m120 -73.6 -20.06 60.71 Favored 'General case' 0 C--N 1.298 -1.636 0 N-CA-C 106.971 -1.492 . . . . 0.0 106.971 178.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.19 35.91 52.06 Favored Glycine 0 N--CA 1.487 2.096 0 N-CA-C 108.297 -1.921 . . . . 0.0 108.297 -179.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -94.3 -4.97 47.74 Favored 'General case' 0 N--CA 1.506 2.368 0 O-C-N 121.319 -1.107 . . . . 0.0 112.005 -177.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.6 8.36 76.27 Favored Glycine 0 N--CA 1.501 2.984 0 N-CA-C 109.479 -1.449 . . . . 0.0 109.479 -179.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -134.28 175.3 9.63 Favored 'General case' 0 N--CA 1.488 1.441 0 N-CA-C 105.699 -1.963 . . . . 0.0 105.699 179.005 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 4.0 t -128.29 129.92 69.28 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 120.576 -1.328 . . . . 0.0 108.499 179.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 52.3 t0 -92.57 163.92 13.62 Favored 'General case' 0 C--N 1.298 -1.651 0 N-CA-C 108.225 -1.028 . . . . 0.0 108.225 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.537 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 53.3 t80 -58.65 -33.84 70.54 Favored 'General case' 0 C--N 1.298 -1.644 0 N-CA-C 108.969 -0.752 . . . . 0.0 108.969 -179.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.524 ' O ' HG23 ' B' ' 76' ' ' VAL . 1.4 tm0? -70.26 -31.4 68.75 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.956 -1.09 . . . . 0.0 109.38 178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.73 ' O ' HD11 ' B' ' 61' ' ' LEU . 42.7 mt-10 -78.73 -49.35 13.23 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 122.025 0.916 . . . . 0.0 109.798 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.64 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.6 t80 -62.29 -47.53 83.9 Favored 'General case' 0 C--N 1.295 -1.773 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.346 -178.09 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.666 HG12 ' HB1' ' A' ' 79' ' ' ALA . 51.0 t -59.32 -35.15 56.61 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.825 0 O-C-N 120.327 -1.483 . . . . 0.0 109.404 -179.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.2 t -59.96 -35.07 58.67 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 119.057 -1.057 . . . . 0.0 108.171 177.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.95 -58.32 9.05 Favored 'General case' 0 N--CA 1.505 2.305 0 CA-C-O 121.473 0.654 . . . . 0.0 112.144 -178.251 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.436 ' O ' HG22 ' B' ' 82' ' ' THR . 12.5 m -59.99 -39.8 81.26 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.178 0 O-C-N 121.495 -0.753 . . . . 0.0 111.055 -178.174 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.651 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -62.43 -39.98 95.09 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 121.104 -0.998 . . . . 0.0 110.239 179.688 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.645 ' HB1' HD21 ' Y' ' 11' ' ' LEU . . . -76.4 -24.51 54.07 Favored 'General case' 0 C--N 1.3 -1.562 0 N-CA-C 113.71 1.004 . . . . 0.0 113.71 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.464 ' CD1' HD21 ' Y' ' 8' ' ' ASN . 94.2 mt -86.55 -39.98 15.67 Favored 'General case' 0 N--CA 1.513 2.719 0 O-C-N 119.58 -1.95 . . . . 0.0 110.509 -179.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 4.9 t -59.13 -40.65 86.11 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 120.779 -1.201 . . . . 0.0 109.201 178.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 80' ' ' ALA . 18.7 m -59.97 -39.96 81.68 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 120.979 -1.076 . . . . 0.0 109.244 177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.547 ' HB3' ' CZ2' ' Y' ' 7' ' ' TRP . . . -60.08 -25.64 65.56 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.4 p -76.75 -40.09 49.55 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.16 -0.963 . . . . 0.0 109.971 -179.422 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.484 ' N ' ' SG ' ' B' ' 85' ' ' CYS . 54.3 t-20 -60.44 -40.2 90.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.161 -0.962 . . . . 0.0 109.141 -179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.4 m-20 -63.73 -39.96 95.56 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.32 -0.862 . . . . 0.0 109.004 179.325 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.496 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 71.0 t80 -84.2 -1.52 55.29 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.549 -0.719 . . . . 0.0 109.326 -179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.491 ' CD2' ' O ' ' B' ' 89' ' ' PHE . 64.8 t80 -83.35 -10.02 58.71 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.379 -0.826 . . . . 0.0 109.793 179.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 p-90 -60.55 -7.99 2.52 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 109.388 -179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -60.25 -31.88 70.62 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.264 -0.898 . . . . 0.0 109.182 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 66.2 t30 -70.14 -20.36 63.17 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.332 -0.855 . . . . 0.0 109.513 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 69.1 m . . . . . 0 N--CA 1.49 1.529 0 CA-C-O 118.081 -0.961 . . . . 0.0 109.413 -179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . 0.433 ' O ' ' O ' ' X' ' 2' ' ' ARG . 19.0 m . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.678 -0.49 . . . . 0.0 109.678 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.459 ' O ' ' CB ' ' X' ' 3' ' ' THR . 70.5 ttt-85 63.39 -179.51 0.15 Allowed 'General case' 0 CA--C 1.458 -2.587 0 CA-C-O 123.112 1.434 . . . . 0.0 107.348 179.495 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . 0.459 ' CB ' ' O ' ' X' ' 2' ' ' ARG . 0.3 OUTLIER 64.55 29.66 13.09 Favored 'General case' 0 C--N 1.384 2.07 1 O-C-N 111.929 -6.732 . . . . 0.0 109.824 171.426 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.448 ' N ' ' CD ' ' X' ' 4' ' ' LYS . 0.4 OUTLIER -82.79 156.89 23.44 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.139 -0.975 . . . . 0.0 109.295 179.767 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.442 ' O ' ' OD2' ' A' ' 46' ' ' ASP . 1.3 pt -80.57 122.96 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.59 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 179.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -121.85 32.03 6.01 Favored 'General case' 0 N--CA 1.504 2.274 0 N-CA-C 108.804 -0.813 . . . . 0.0 108.804 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.666 ' O ' HG22 ' X' ' 10' ' ' ILE . 55.0 t90 -59.95 -49.98 75.56 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.63 -0.669 . . . . 0.0 111.732 -178.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.768 ' OD1' HD11 ' A' ' 57' ' ' ILE . 34.2 t-20 -54.9 -33.49 62.12 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.304 -1.497 . . . . 0.0 109.035 -179.195 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . 0.407 ' O ' ' OXT' ' X' ' 12' ' ' SER . 82.1 tttt -59.89 -27.08 66.41 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.498 -1.297 . . . . 0.0 107.498 178.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.666 HG22 ' O ' ' X' ' 7' ' ' TRP . 3.0 tt -54.44 -34.45 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 N-CA-C 106.981 -1.489 . . . . 0.0 106.981 178.729 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.478 HD13 ' O ' ' X' ' 11' ' ' LEU . 0.3 OUTLIER -60.03 -49.94 75.68 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 108.593 -0.892 . . . . 0.0 108.593 179.692 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . 0.407 ' OXT' ' O ' ' X' ' 9' ' ' LYS . 53.6 p . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.9 -1.047 . . . . 0.0 109.702 -179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.451 -0.574 . . . . 0.0 109.451 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 42.5 ptt85 -68.16 -20.52 64.89 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.13 -0.981 . . . . 0.0 109.313 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 71.0 p -72.78 -1.01 14.9 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.547 -0.721 . . . . 0.0 109.957 -179.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -126.45 145.64 50.41 Favored 'General case' 0 N--CA 1.497 1.903 0 CA-C-O 121.592 0.71 . . . . 0.0 109.927 -179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.468 ' O ' ' OD2' ' B' ' 46' ' ' ASP . 2.5 pt -118.21 135.83 57.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.955 0 N-CA-C 108.55 -0.907 . . . . 0.0 108.55 -179.208 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 95.7 m-20 -114.62 27.31 9.54 Favored 'General case' 0 N--CA 1.51 2.556 0 O-C-N 121.063 -1.023 . . . . 0.0 110.351 -179.202 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.651 ' O ' HG22 ' Y' ' 10' ' ' ILE . 41.7 t90 -60.31 -55.13 37.38 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.015 -1.053 . . . . 0.0 112.868 -177.795 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.788 ' OD1' HD11 ' B' ' 57' ' ' ILE . 35.1 t-20 -52.13 -35.74 49.21 Favored 'General case' 0 N--CA 1.499 1.985 0 O-C-N 119.866 -1.771 . . . . 0.0 109.198 -178.563 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -59.9 -24.72 64.52 Favored 'General case' 0 C--N 1.296 -1.747 0 N-CA-C 107.75 -1.204 . . . . 0.0 107.75 179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.651 HG22 ' O ' ' Y' ' 7' ' ' TRP . 5.0 tt -53.32 -38.47 31.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 N-CA-C 107.415 -1.328 . . . . 0.0 107.415 178.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.416 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.1 tp -68.9 -40.07 79.36 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 119.799 -0.76 . . . . 0.0 109.505 179.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 7.5 t . . . . . 0 N--CA 1.499 2.013 0 CA-C-O 118.054 -0.974 . . . . 0.0 109.488 -179.546 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.888 0 N-CA-C 119.636 2.614 . . . . 0.0 119.636 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.5 m -103.16 34.6 2.84 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.417 -1.049 . . . . 0.0 109.536 179.821 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.23 -40.09 94.97 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.338 -0.851 . . . . 0.0 111.775 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 7.9 mt -61.28 -43.32 99.06 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 120.142 -1.599 . . . . 0.0 109.606 -179.017 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -62.97 -34.18 76.98 Favored 'General case' 0 C--N 1.301 -1.528 0 O-C-N 121.026 -1.047 . . . . 0.0 109.615 -179.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 94.8 m -59.8 -45.72 91.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.37 -0.831 . . . . 0.0 110.104 -179.461 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.34 -28.33 66.13 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.764 -0.585 . . . . 0.0 111.837 -178.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.9 ttt -71.55 -48.83 46.08 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.468 -1.395 . . . . 0.0 110.28 -178.621 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -70.07 -33.39 71.85 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.552 -0.718 . . . . 0.0 111.266 -177.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.22 -55.79 14.51 Favored 'General case' 0 N--CA 1.488 1.473 0 C-N-CA 118.477 -1.289 . . . . 0.0 109.926 -178.721 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.459 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.3 mp -45.56 -38.13 6.14 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.447 -1.408 . . . . 0.0 108.597 178.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.7 mt -67.71 -39.97 83.07 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.827 0 O-C-N 121.372 -0.83 . . . . 0.0 110.796 178.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.32 -43.01 64.78 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.467 -1.396 . . . . 0.0 112.797 -178.638 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.511 HG13 ' HD1' ' A' ' 15' ' ' PHE . 11.0 p -71.01 -39.82 75.41 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 O-C-N 120.647 -1.283 . . . . 0.0 109.95 -178.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.643 ' CE2' ' CD2' ' A' ' 74' ' ' PHE . 5.3 m-30 -60.13 -40.52 90.08 Favored 'General case' 0 C--N 1.291 -1.943 0 O-C-N 121.826 -0.546 . . . . 0.0 110.155 -179.546 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.479 ' C ' ' CD2' ' A' ' 16' ' ' HIS . 2.8 p-80 -73.28 -24.23 60.4 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.152 -1.593 . . . . 0.0 110.433 -179.797 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.57 -53.7 54.99 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.983 -1.073 . . . . 0.0 110.925 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.689 ' CD2' HD21 ' A' ' 36' ' ' LEU . 19.5 m-70 -83.31 -41.27 18.46 Favored 'General case' 0 N--CA 1.5 2.069 0 O-C-N 121.234 -0.916 . . . . 0.0 111.077 -179.521 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' O ' ' A' ' 24' ' ' ASP . 9.7 t -56.83 -28.4 61.53 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.252 -0.905 . . . . 0.0 112.792 -178.303 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.4 9.56 71.75 Favored Glycine 0 N--CA 1.497 2.764 0 O-C-N 120.513 -1.367 . . . . 0.0 111.138 -177.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.2 mptt -124.24 -62.94 1.24 Allowed 'General case' 0 N--CA 1.503 2.209 0 CA-C-N 118.873 1.337 . . . . 0.0 109.84 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.408 ' CD ' ' N ' ' A' ' 22' ' ' GLU . 34.1 mp0 -88.82 18.52 4.71 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.788 -1.195 . . . . 0.0 110.621 -178.091 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.563 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -152.02 -155.31 6.97 Favored Glycine 0 N--CA 1.496 2.688 0 N-CA-C 109.455 -1.458 . . . . 0.0 109.455 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' A' ' 19' ' ' SER . 92.9 m-20 -86.78 168.56 13.4 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.183 -1.187 . . . . 0.0 108.455 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.6 mmmt -57.59 -49.33 76.75 Favored 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.349 -0.845 . . . . 0.0 112.012 -177.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 91.7 m-85 -118.55 24.75 10.72 Favored 'General case' 0 N--CA 1.511 2.584 0 O-C-N 120.514 -1.367 . . . . 0.0 111.499 -177.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -140.01 146.91 39.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.857 -1.152 . . . . 0.0 108.698 179.121 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -94.24 164.27 13.11 Favored 'General case' 0 C--N 1.294 -1.832 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.124 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.51 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.9 m -129.46 158.69 38.5 Favored 'General case' 0 N--CA 1.501 2.109 0 O-C-N 121.401 -0.812 . . . . 0.0 109.801 -179.663 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.7 tttt -48.01 -40.1 21.69 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 119.045 -1.062 . . . . 0.0 112.946 -179.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 17.9 ptpt -75.12 -23.71 57.94 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 119.579 -1.95 . . . . 0.0 109.809 -178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.563 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 81.5 mt-10 -76.3 -42.74 44.33 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.524 -0.735 . . . . 0.0 111.527 -178.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.5 pp -59.86 -47.11 87.08 Favored 'General case' 0 N--CA 1.5 2.042 0 C-N-CA 118.408 -1.317 . . . . 0.0 109.2 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.554 ' N ' HD12 ' A' ' 33' ' ' LEU . 80.0 tttt -61.12 -40.04 92.31 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.755 -0.591 . . . . 0.0 111.505 -179.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.404 ' O ' ' OG1' ' A' ' 39' ' ' THR . 89.8 m-20 -66.33 -42.56 88.02 Favored 'General case' 0 N--CA 1.503 2.214 0 O-C-N 120.919 -1.113 . . . . 0.0 113.966 -177.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.689 HD21 ' CD2' ' A' ' 18' ' ' HIS . 61.2 mt -70.02 -40.04 75.44 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 119.381 -2.074 . . . . 0.0 110.597 -178.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 65.2 mt -64.52 -51.83 60.89 Favored 'General case' 0 C--N 1.29 -1.989 0 CA-C-O 121.453 0.644 . . . . 0.0 112.496 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.696 HE21 ' NE2' ' A' ' 48' ' ' GLN . 0.0 OUTLIER -66.02 -37.27 85.45 Favored 'General case' 0 N--CA 1.494 1.726 0 CA-C-O 121.854 0.835 . . . . 0.0 111.887 -178.277 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.441 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 93.0 m -54.85 -45.88 74.57 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.856 -0.527 . . . . 0.0 111.232 -175.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' B' ' 1' ' ' GLY . 65.0 mt-10 -100.53 -12.53 19.21 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.135 -0.978 . . . . 0.0 111.617 -177.446 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 54.4 mt -134.93 47.49 2.35 Favored 'General case' 0 N--CA 1.503 2.199 0 O-C-N 120.988 -1.07 . . . . 0.0 109.421 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.534 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 57.8 m -60.16 -48.55 81.27 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.241 -0.912 . . . . 0.0 110.529 -179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 86.8 p -69.96 -39.74 75.84 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.356 -0.84 . . . . 0.0 111.786 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' O ' ' C ' ' A' ' 45' ' ' LEU . 33.9 t80 -84.61 -106.77 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.838 -1.164 . . . . 0.0 111.952 -178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.592 ' C ' ' O ' ' A' ' 44' ' ' PHE . 0.7 OUTLIER -8.88 125.9 0.0 OUTLIER 'General case' 0 N--CA 1.52 3.066 0 CA-C-O 114.79 -2.528 . . . . 0.0 109.322 178.068 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 49.1 t0 -90.44 109.23 20.36 Favored 'General case' 0 N--CA 1.521 3.113 1 CA-C-N 128.068 4.94 . . . . 0.0 110.183 178.109 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.452 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 2.0 m -143.45 -46.39 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.502 2.138 0 O-C-N 120.764 -1.21 . . . . 0.0 110.391 178.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.696 ' NE2' HE21 ' A' ' 38' ' ' GLN . 88.5 mt-30 -77.5 -47.23 20.12 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 120.821 -1.174 . . . . 0.0 111.494 -179.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.534 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 1.1 mmtt -57.54 -57.54 12.22 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 107.526 -1.287 . . . . 0.0 107.526 -179.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -96.71 89.56 4.98 Favored 'General case' 0 C--N 1.296 -1.752 0 N-CA-C 108.962 -0.755 . . . . 0.0 108.962 179.271 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.82 -32.08 65.38 Favored 'General case' 0 N--CA 1.488 1.449 0 N-CA-C 106.393 -1.706 . . . . 0.0 106.393 178.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -60.03 -37.9 81.13 Favored 'General case' 0 C--N 1.3 -1.551 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 176.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.98 -40.02 87.7 Favored 'General case' 0 N--CA 1.491 1.625 0 C-N-CA 118.871 -1.132 . . . . 0.0 109.684 -177.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.29 -35.23 71.28 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.676 0 O-C-N 120.555 -1.34 . . . . 0.0 108.331 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.55 -40.02 94.82 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.97 -1.081 . . . . 0.0 110.489 -178.504 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.8 mmmt -66.59 -40.08 88.72 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.227 -0.921 . . . . 0.0 110.044 -179.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.768 HD11 ' OD1' ' X' ' 8' ' ' ASN . 4.6 mm -69.9 -53.78 22.29 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.648 0 CA-C-O 121.682 0.753 . . . . 0.0 110.753 -179.484 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 3.4 tpt -60.87 -39.84 90.7 Favored 'General case' 0 C--N 1.293 -1.863 0 CA-C-O 121.05 0.453 . . . . 0.0 111.271 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.48 -45.58 93.66 Favored 'General case' 0 C--N 1.289 -2.052 0 N-CA-C 107.729 -1.211 . . . . 0.0 107.729 -179.709 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 88.5 tt0 -69.53 -28.92 66.43 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.657 -1.238 . . . . 0.0 107.657 178.494 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.728 HD11 ' O ' ' A' ' 73' ' ' GLU . 14.2 tp -74.21 -41.7 60.96 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.682 -0.636 . . . . 0.0 110.046 -179.598 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -70.17 61.76 0.21 Allowed 'General case' 0 C--N 1.305 -1.34 0 N-CA-C 107.075 -1.454 . . . . 0.0 107.075 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.553 ' N ' ' O ' ' A' ' 61' ' ' LEU . 99.9 mt-10 -60.05 -40.0 87.88 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 108.285 -1.005 . . . . 0.0 108.285 -178.526 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.75 -19.2 61.42 Favored 'General case' 0 C--N 1.298 -1.655 0 N-CA-C 106.8 -1.556 . . . . 0.0 106.8 178.005 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.98 35.57 49.52 Favored Glycine 0 N--CA 1.486 2.025 0 N-CA-C 108.283 -1.927 . . . . 0.0 108.283 -179.378 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -96.52 -4.62 41.07 Favored 'General case' 0 N--CA 1.505 2.318 0 O-C-N 121.397 -1.061 . . . . 0.0 111.846 -177.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.01 9.66 76.43 Favored Glycine 0 N--CA 1.501 3.025 0 N-CA-C 109.926 -1.27 . . . . 0.0 109.926 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -134.63 175.8 9.21 Favored 'General case' 0 N--CA 1.491 1.617 0 N-CA-C 106.225 -1.769 . . . . 0.0 106.225 179.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 2.7 t -129.69 131.01 67.04 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 O-C-N 120.26 -1.525 . . . . 0.0 110.649 -179.588 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -94.67 162.07 13.93 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 177.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.495 ' CD1' HG12 ' B' ' 83' ' ' VAL . 0.1 OUTLIER -55.34 -39.67 70.31 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 121.139 -0.975 . . . . 0.0 109.145 -179.218 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -65.61 -28.61 69.25 Favored 'General case' 0 N--CA 1.497 1.918 0 O-C-N 119.74 -1.85 . . . . 0.0 109.546 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.728 ' O ' HD11 ' A' ' 61' ' ' LEU . 90.5 mt-10 -83.16 -49.98 8.92 Favored 'General case' 0 C--N 1.303 -1.437 0 CA-C-O 121.813 0.816 . . . . 0.0 109.862 179.514 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.643 ' CD2' ' CE2' ' A' ' 15' ' ' PHE . 1.3 t80 -60.1 -49.05 79.18 Favored 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.633 0.73 . . . . 0.0 111.414 -178.242 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.613 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.8 p -59.99 -36.88 69.87 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.038 -1.039 . . . . 0.0 110.833 -179.071 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.478 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -57.81 -29.78 36.16 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.71 0 O-C-N 121.151 -0.968 . . . . 0.0 108.415 179.126 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.5 HD12 HD22 ' A' ' 61' ' ' LEU . 0.5 OUTLIER -67.93 -59.4 3.31 Favored 'General case' 0 N--CA 1.501 2.114 0 CA-C-O 121.702 0.763 . . . . 0.0 112.486 -177.751 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.409 ' O ' HG22 ' A' ' 82' ' ' THR . 26.1 m -61.62 -37.25 77.49 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.172 0 CA-C-O 121.695 0.759 . . . . 0.0 110.745 -177.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.546 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -66.75 -41.19 88.21 Favored 'General case' 0 C--N 1.287 -2.147 0 O-C-N 121.713 -0.617 . . . . 0.0 111.631 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.6 -25.28 53.74 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 120.885 -1.134 . . . . 0.0 113.031 -177.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.5 mt -78.64 -53.23 7.4 Favored 'General case' 0 N--CA 1.505 2.321 0 O-C-N 119.753 -1.842 . . . . 0.0 109.939 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.589 HG23 ' H ' ' A' ' 83' ' ' VAL . 3.1 t -45.55 -53.22 9.34 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.278 -0.889 . . . . 0.0 110.697 178.849 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.589 ' H ' HG23 ' A' ' 82' ' ' THR . 16.1 m -52.46 -41.17 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.895 0 O-C-N 120.979 -1.076 . . . . 0.0 109.521 178.04 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.449 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -60.52 -25.12 65.87 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 108.877 -0.786 . . . . 0.0 108.877 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 16.6 t -71.43 -41.72 69.16 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.356 -0.84 . . . . 0.0 109.321 179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 14.6 t-20 -60.65 -39.97 90.27 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.376 -0.828 . . . . 0.0 109.656 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -60.12 -39.95 88.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.458 -0.776 . . . . 0.0 110.232 -179.402 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.57 -0.32 57.43 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.946 -1.096 . . . . 0.0 109.604 -179.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -83.56 -13.91 53.38 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.169 -0.957 . . . . 0.0 108.824 179.283 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.449 ' O ' ' CD2' ' A' ' 90' ' ' TRP . 90.5 t90 -94.82 -0.2 54.31 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.482 -0.761 . . . . 0.0 110.253 -179.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -60.01 -41.21 91.62 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.992 -1.067 . . . . 0.0 109.64 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.451 ' O ' ' C ' ' A' ' 93' ' ' SER . 95.4 m-20 -100.27 -1.4 36.42 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.301 -0.874 . . . . 0.0 109.045 179.159 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.451 ' C ' ' O ' ' A' ' 92' ' ' ASN . 72.3 p . . . . . 0 N--CA 1.503 2.184 0 CA-C-O 117.984 -1.008 . . . . 0.0 111.164 179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.405 ' O ' ' CD ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 119.613 2.605 . . . . 0.0 119.613 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 73.6 m -103.3 34.77 2.79 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.489 -1.006 . . . . 0.0 109.561 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -62.33 -40.14 95.35 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.363 -0.835 . . . . 0.0 111.65 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 7.3 mt -61.1 -43.35 99.02 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.115 -1.616 . . . . 0.0 109.637 -179.011 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -62.86 -34.47 77.43 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.041 -1.037 . . . . 0.0 109.689 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 96.2 m -59.6 -45.72 91.06 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-O 121.674 0.749 . . . . 0.0 110.188 -179.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.63 -27.8 65.37 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.789 -0.569 . . . . 0.0 111.871 -178.624 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 18.5 ttt -72.14 -48.75 41.34 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.524 -1.36 . . . . 0.0 110.261 -178.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -69.99 -33.43 72.03 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.626 -0.671 . . . . 0.0 111.237 -177.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -66.17 -55.85 14.29 Favored 'General case' 0 N--CA 1.489 1.525 0 C-N-CA 118.448 -1.301 . . . . 0.0 109.987 -178.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.465 ' N ' ' CG2' ' B' ' 10' ' ' THR . 8.1 mp -45.45 -37.97 5.66 Favored 'General case' 0 N--CA 1.502 2.151 0 O-C-N 120.469 -1.394 . . . . 0.0 108.597 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 78.6 mt -67.92 -39.77 82.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.785 0 O-C-N 121.345 -0.847 . . . . 0.0 110.702 179.065 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -72.47 -43.26 63.96 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 120.517 -1.364 . . . . 0.0 112.72 -178.489 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.49 HG13 ' HD1' ' B' ' 15' ' ' PHE . 12.2 p -70.74 -39.97 76.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.422 0 O-C-N 120.821 -1.174 . . . . 0.0 109.93 -178.734 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.641 ' CE2' ' CD2' ' B' ' 74' ' ' PHE . 5.4 m-30 -60.03 -40.36 89.09 Favored 'General case' 0 C--N 1.292 -1.921 0 O-C-N 121.722 -0.612 . . . . 0.0 110.225 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.477 ' C ' ' CD2' ' B' ' 16' ' ' HIS . 3.0 p-80 -73.49 -24.02 60.13 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.018 -1.676 . . . . 0.0 110.498 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.46 -53.99 51.79 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.966 -1.084 . . . . 0.0 110.884 -179.045 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.689 ' CD2' HD21 ' B' ' 36' ' ' LEU . 19.5 m-70 -83.21 -41.43 18.43 Favored 'General case' 0 N--CA 1.5 2.038 0 O-C-N 121.165 -0.96 . . . . 0.0 111.029 -179.455 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.426 ' O ' ' O ' ' B' ' 24' ' ' ASP . 9.3 t -56.59 -28.62 60.73 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.276 -0.89 . . . . 0.0 112.856 -178.475 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.21 9.39 72.31 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.416 -1.428 . . . . 0.0 111.236 -177.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 7.7 mptt -124.23 -62.8 1.25 Allowed 'General case' 0 N--CA 1.504 2.241 0 CA-C-N 118.809 1.304 . . . . 0.0 109.876 179.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.402 ' N ' ' CD ' ' B' ' 22' ' ' GLU . 35.3 mp0 -89.07 18.93 4.51 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.746 -1.221 . . . . 0.0 110.606 -178.125 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.562 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -152.09 -155.49 7.06 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' B' ' 19' ' ' SER . 92.6 m-20 -86.85 168.77 13.14 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.253 -1.145 . . . . 0.0 108.442 178.8 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 15.3 mmmt -57.73 -49.38 76.74 Favored 'General case' 0 C--N 1.298 -1.669 0 O-C-N 121.263 -0.898 . . . . 0.0 111.983 -177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -118.33 24.12 11.14 Favored 'General case' 0 N--CA 1.51 2.558 0 O-C-N 120.588 -1.32 . . . . 0.0 111.486 -177.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 62.0 tttt -139.54 146.63 40.14 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.862 -1.149 . . . . 0.0 108.739 179.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 tp -93.8 164.35 13.16 Favored 'General case' 0 C--N 1.295 -1.798 0 CA-C-N 115.438 -0.801 . . . . 0.0 110.049 -177.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.52 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 75.3 m -129.45 158.32 39.54 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 121.41 -0.806 . . . . 0.0 109.864 -179.434 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 46.2 tttt -48.24 -39.82 22.56 Favored 'General case' 0 N--CA 1.496 1.852 0 C-N-CA 118.978 -1.089 . . . . 0.0 112.909 -179.408 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -74.97 -23.88 58.36 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 119.604 -1.935 . . . . 0.0 109.732 -178.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.562 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 81.5 mt-10 -76.45 -42.66 43.1 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.544 -0.722 . . . . 0.0 111.464 -178.748 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.519 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.4 pp -59.75 -47.26 86.37 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.466 -1.396 . . . . 0.0 109.123 179.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.519 ' N ' HD12 ' B' ' 33' ' ' LEU . 80.4 tttt -61.06 -40.07 92.25 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.731 -0.606 . . . . 0.0 111.558 -178.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -66.26 -42.5 88.43 Favored 'General case' 0 N--CA 1.503 2.191 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 -177.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.689 HD21 ' CD2' ' B' ' 18' ' ' HIS . 54.5 mt -70.01 -39.98 75.52 Favored 'General case' 0 N--CA 1.505 2.304 0 O-C-N 119.308 -2.12 . . . . 0.0 110.774 -178.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 67.4 mt -64.52 -51.89 60.58 Favored 'General case' 0 C--N 1.292 -1.922 0 CA-C-O 121.518 0.675 . . . . 0.0 112.492 -177.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.688 HE21 ' NE2' ' B' ' 48' ' ' GLN . 0.0 OUTLIER -66.04 -37.12 85.06 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-O 121.889 0.852 . . . . 0.0 111.88 -178.204 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.438 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.3 m -55.0 -46.01 75.12 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.737 -0.602 . . . . 0.0 111.295 -175.899 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -100.43 -12.33 19.46 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 121.17 -0.956 . . . . 0.0 111.603 -177.442 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 55.5 mt -134.93 47.28 2.37 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 120.94 -1.1 . . . . 0.0 109.359 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.526 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 67.7 m -60.17 -48.45 81.69 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.173 -0.954 . . . . 0.0 110.438 -179.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 90.5 p -69.96 -39.52 75.97 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.364 -0.835 . . . . 0.0 111.844 -178.289 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.521 ' O ' ' C ' ' B' ' 45' ' ' LEU . 35.1 t80 -85.19 -92.57 0.09 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.796 -1.19 . . . . 0.0 113.399 -177.525 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.521 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.0 OUTLIER -32.92 133.06 0.13 Allowed 'General case' 0 N--CA 1.511 2.601 0 CA-C-O 116.826 -1.559 . . . . 0.0 108.176 -174.51 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.468 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 49.3 t0 -90.22 108.22 19.62 Favored 'General case' 0 N--CA 1.508 2.45 0 CA-C-N 125.088 3.585 . . . . 0.0 110.129 -179.821 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.439 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 2.2 m -143.47 -45.97 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 121.13 -0.981 . . . . 0.0 110.088 178.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.688 ' NE2' HE21 ' B' ' 38' ' ' GLN . 88.3 mt-30 -77.82 -47.38 19.03 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.665 -1.272 . . . . 0.0 111.441 -179.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.526 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 1.2 mmtt -57.55 -57.67 11.69 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 107.485 -1.302 . . . . 0.0 107.485 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.424 ' OD2' ' OD1' ' Y' ' 6' ' ' ASP . 98.1 m-20 -96.53 89.57 5.05 Favored 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.992 -0.744 . . . . 0.0 108.992 179.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.77 -32.01 65.2 Favored 'General case' 0 N--CA 1.488 1.46 0 N-CA-C 106.366 -1.716 . . . . 0.0 106.366 178.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -60.01 -38.24 82.07 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.193 -1.04 . . . . 0.0 108.193 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.68 -40.99 89.65 Favored 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 118.727 -1.189 . . . . 0.0 109.409 -177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.28 -35.42 69.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 120.496 -1.377 . . . . 0.0 108.424 179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -64.5 -39.96 94.76 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.969 -1.082 . . . . 0.0 110.432 -178.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 20.0 mmmt -66.84 -40.06 87.81 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.075 -1.016 . . . . 0.0 110.004 -179.14 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.788 HD11 ' OD1' ' Y' ' 8' ' ' ASN . 4.9 mm -69.77 -53.5 23.91 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.662 0 CA-C-O 121.668 0.747 . . . . 0.0 110.819 -179.629 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 3.6 tpt -60.98 -39.85 91.19 Favored 'General case' 0 C--N 1.295 -1.8 0 CA-C-O 121.053 0.454 . . . . 0.0 111.306 -178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.64 -45.81 92.48 Favored 'General case' 0 C--N 1.288 -2.071 0 N-CA-C 107.604 -1.258 . . . . 0.0 107.604 -179.543 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -70.0 -26.55 64.13 Favored 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.138 -1.06 . . . . 0.0 108.138 178.241 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.744 HD11 ' O ' ' B' ' 73' ' ' GLU . 14.4 tp -76.05 -41.74 49.77 Favored 'General case' 0 N--CA 1.49 1.534 0 CA-C-O 121.165 0.507 . . . . 0.0 109.76 179.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 84.0 m-20 -70.09 61.74 0.2 Allowed 'General case' 0 C--N 1.305 -1.343 0 N-CA-C 107.213 -1.403 . . . . 0.0 107.213 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.552 ' N ' ' O ' ' B' ' 61' ' ' LEU . 99.8 mt-10 -59.97 -39.98 87.52 Favored 'General case' 0 C--N 1.297 -1.68 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 -178.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -72.98 -19.24 61.26 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.02 35.52 49.49 Favored Glycine 0 N--CA 1.487 2.068 0 N-CA-C 108.331 -1.908 . . . . 0.0 108.331 -179.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -96.5 -4.9 40.65 Favored 'General case' 0 N--CA 1.506 2.37 0 O-C-N 121.507 -0.996 . . . . 0.0 111.822 -177.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 73.03 9.94 77.01 Favored Glycine 0 N--CA 1.5 2.909 0 N-CA-C 109.887 -1.285 . . . . 0.0 109.887 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 95.6 mt-10 -134.78 176.02 9.02 Favored 'General case' 0 N--CA 1.491 1.584 0 N-CA-C 106.034 -1.839 . . . . 0.0 106.034 179.431 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.409 HG11 HD21 ' B' ' 61' ' ' LEU . 2.6 t -129.88 131.2 66.51 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.357 0 O-C-N 120.249 -1.532 . . . . 0.0 110.649 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -94.73 161.81 14.03 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 178.163 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.451 ' CD1' HG12 ' A' ' 83' ' ' VAL . 0.1 OUTLIER -55.33 -39.57 70.13 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.044 -1.035 . . . . 0.0 109.135 -179.239 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -65.86 -28.49 69.01 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 119.736 -1.853 . . . . 0.0 109.573 179.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.744 ' O ' HD11 ' B' ' 61' ' ' LEU . 93.0 mt-10 -83.32 -49.9 8.91 Favored 'General case' 0 C--N 1.304 -1.41 0 CA-C-O 121.788 0.804 . . . . 0.0 109.763 179.471 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.641 ' CD2' ' CE2' ' B' ' 15' ' ' PHE . 1.3 t80 -59.95 -49.0 79.41 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.5 -0.75 . . . . 0.0 111.447 -178.212 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.546 HG22 ' HB1' ' A' ' 79' ' ' ALA . 9.3 p -59.99 -37.16 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.069 -1.019 . . . . 0.0 110.802 -179.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.478 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -57.52 -29.66 34.45 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 N-CA-C 108.501 -0.926 . . . . 0.0 108.501 179.22 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.522 HD12 HD22 ' B' ' 61' ' ' LEU . 0.6 OUTLIER -68.13 -59.5 3.19 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-O 121.787 0.803 . . . . 0.0 112.485 -177.651 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.419 ' O ' HG22 ' B' ' 82' ' ' THR . 26.0 m -61.73 -37.18 77.44 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 CA-C-O 121.661 0.743 . . . . 0.0 110.721 -178.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.613 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -66.86 -41.39 87.4 Favored 'General case' 0 C--N 1.285 -2.207 0 O-C-N 121.681 -0.637 . . . . 0.0 111.471 -179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.2 -25.16 54.86 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.853 -1.155 . . . . 0.0 113.02 -177.054 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 16.2 mt -78.93 -53.29 7.21 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 119.666 -1.896 . . . . 0.0 109.839 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.585 HG23 ' H ' ' B' ' 83' ' ' VAL . 3.1 t -45.41 -53.24 8.97 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.391 -0.818 . . . . 0.0 110.629 179.018 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.585 ' H ' HG23 ' B' ' 82' ' ' THR . 16.5 m -52.48 -41.28 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.051 -1.03 . . . . 0.0 109.641 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.449 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.3 -25.24 65.59 Favored 'General case' 0 C--N 1.299 -1.627 0 N-CA-C 108.842 -0.799 . . . . 0.0 108.842 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 16.5 t -71.21 -41.65 69.97 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.275 -0.89 . . . . 0.0 109.339 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -60.8 -40.01 91.07 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.294 -0.879 . . . . 0.0 109.613 179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -60.03 -39.99 87.79 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.395 -0.815 . . . . 0.0 110.264 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -89.5 -0.43 57.5 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.979 -1.076 . . . . 0.0 109.573 -179.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 70.6 t80 -83.52 -13.76 53.82 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.22 -0.925 . . . . 0.0 108.933 179.211 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.456 ' O ' ' CD2' ' B' ' 90' ' ' TRP . 90.4 t90 -94.8 -0.24 54.32 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.465 -0.772 . . . . 0.0 110.246 -179.488 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -60.08 -41.22 92.0 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.948 -1.095 . . . . 0.0 109.618 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' B' ' 93' ' ' SER . 95.6 m-20 -100.24 -1.25 36.88 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.317 -0.865 . . . . 0.0 109.071 179.162 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.445 ' C ' ' O ' ' B' ' 92' ' ' ASN . 75.4 p . . . . . 0 N--CA 1.503 2.2 0 CA-C-O 117.951 -1.023 . . . . 0.0 111.146 179.715 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 6.3 t . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -98.17 130.28 44.93 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.254 -0.904 . . . . 0.0 109.276 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -92.63 97.23 10.67 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.015 -1.053 . . . . 0.0 108.672 179.449 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.575 ' CD ' ' H ' ' X' ' 4' ' ' LYS . 0.0 OUTLIER -69.59 -40.01 76.96 Favored 'General case' 0 N--CA 1.489 1.489 0 O-C-N 121.413 -0.805 . . . . 0.0 109.421 -179.727 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.602 ' O ' HG23 ' X' ' 5' ' ' ILE . 8.0 tt -162.13 102.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.651 0 O-C-N 121.235 -0.915 . . . . 0.0 109.73 -179.503 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -128.63 10.93 6.16 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 121.149 -0.97 . . . . 0.0 109.463 179.707 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.671 ' O ' HG22 ' X' ' 10' ' ' ILE . 4.6 p-90 -60.03 -40.71 90.28 Favored 'General case' 0 N--CA 1.488 1.439 0 O-C-N 121.092 -1.005 . . . . 0.0 110.413 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.592 ' OD1' HD11 ' A' ' 57' ' ' ILE . 0.4 OUTLIER -53.05 -39.04 62.96 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 119.345 -2.097 . . . . 0.0 108.578 -179.707 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 17.6 ttmt -55.69 -23.05 26.44 Favored 'General case' 0 C--N 1.296 -1.751 0 N-CA-C 106.855 -1.535 . . . . 0.0 106.855 178.333 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.671 HG22 ' O ' ' X' ' 7' ' ' TRP . 10.6 tt -51.71 -38.09 21.36 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.195 0 N-CA-C 106.696 -1.594 . . . . 0.0 106.696 177.563 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.494 HD22 ' CD2' ' A' ' 81' ' ' LEU . 58.8 tp -64.31 -40.24 95.53 Favored 'General case' 0 C--N 1.301 -1.5 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.204 179.615 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 13.8 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.579 179.948 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.489 1.491 0 CA-C-O 121.174 0.512 . . . . 0.0 109.659 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -125.61 148.22 49.04 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 53.8 p -74.0 154.78 39.15 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.055 -1.028 . . . . 0.0 109.963 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.12 -79.37 0.35 Allowed 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.412 -0.805 . . . . 0.0 110.161 -179.444 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.952 HG23 ' H ' ' Y' ' 6' ' ' ASP . 12.2 tt -87.44 -74.36 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.274 -0.891 . . . . 0.0 111.039 -178.3 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.952 ' H ' HG23 ' Y' ' 5' ' ' ILE . 4.3 p-10 42.24 16.86 0.01 OUTLIER 'General case' 0 N--CA 1.504 2.272 0 O-C-N 121.1 -1.0 . . . . 0.0 110.252 -179.553 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.686 ' O ' HG22 ' Y' ' 10' ' ' ILE . 25.7 t90 -60.34 -50.42 73.68 Favored 'General case' 0 C--N 1.303 -1.454 0 O-C-N 121.345 -0.847 . . . . 0.0 111.043 -179.58 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.571 ' CG ' HD11 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -53.69 -31.16 46.85 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 119.909 -1.745 . . . . 0.0 109.141 -178.937 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . . . . . . . . . 28.6 ttpt -57.41 -24.84 57.93 Favored 'General case' 0 C--N 1.297 -1.715 0 N-CA-C 106.495 -1.668 . . . . 0.0 106.495 178.648 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.686 HG22 ' O ' ' Y' ' 7' ' ' TRP . 4.2 tt -54.98 -37.5 42.25 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 106.922 -1.511 . . . . 0.0 106.922 177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.457 HD22 ' CD2' ' B' ' 81' ' ' LEU . 54.5 tp -62.73 -41.89 99.39 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 120.132 -0.627 . . . . 0.0 109.649 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 13.1 t . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.275 179.824 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.803 0 N-CA-C 119.57 2.588 . . . . 0.0 119.57 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 t -77.91 158.08 29.53 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.224 -1.162 . . . . 0.0 109.448 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -41.29 -56.13 2.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.451 -0.781 . . . . 0.0 111.133 -177.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.406 HD23 ' HA ' ' A' ' 4' ' ' LEU . 17.7 mt -69.12 -41.25 77.64 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.851 -1.156 . . . . 0.0 110.282 -179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.9 tt0 -60.39 -35.03 74.78 Favored 'General case' 0 C--N 1.298 -1.666 0 C-N-CA 118.706 -1.198 . . . . 0.0 108.934 -178.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . 92.4 m -58.91 -50.04 75.54 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 121.781 -0.574 . . . . 0.0 109.881 -179.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.17 -28.27 67.97 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.675 -0.64 . . . . 0.0 112.349 -178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 88.5 mtp -70.23 -45.57 66.24 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.278 -1.514 . . . . 0.0 109.912 -179.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.93 61.65 Favored 'General case' 0 C--N 1.3 -1.545 0 O-C-N 121.474 -0.766 . . . . 0.0 110.619 -176.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.2 OUTLIER -67.48 -57.83 5.83 Favored 'General case' 0 C--N 1.288 -2.108 0 C-N-CA 119.099 -1.04 . . . . 0.0 108.481 -178.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' A' ' 11' ' ' LEU . 7.5 mp -50.95 -29.67 12.83 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 120.313 -1.492 . . . . 0.0 108.847 179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 5.6 mm -69.62 -39.44 78.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 121.277 -0.889 . . . . 0.0 109.804 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -70.42 -56.08 7.5 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.003 -1.061 . . . . 0.0 112.863 -179.005 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.558 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.3 p -61.36 -50.02 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.812 0 O-C-N 121.43 -0.794 . . . . 0.0 111.922 -177.025 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.558 ' N ' HG13 ' A' ' 14' ' ' VAL . 1.7 t80 -60.07 -40.16 88.56 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 121.155 -0.965 . . . . 0.0 110.316 -179.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -59.92 -40.0 87.36 Favored 'General case' 0 C--N 1.296 -1.759 0 O-C-N 120.497 -1.377 . . . . 0.0 110.034 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -52.91 63.69 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 113.661 0.985 . . . . 0.0 113.661 -177.455 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -80.1 -45.17 18.7 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.604 -1.31 . . . . 0.0 111.457 -178.329 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.3 t -60.05 -28.01 67.42 Favored 'General case' 0 C--N 1.294 -1.827 0 N-CA-C 113.426 0.899 . . . . 0.0 113.426 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.41 4.91 77.35 Favored Glycine 0 N--CA 1.497 2.715 0 O-C-N 120.444 -1.41 . . . . 0.0 110.73 -177.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -125.94 -61.4 1.24 Allowed 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.429 -1.042 . . . . 0.0 110.312 -179.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.463 ' OE1' ' N ' ' A' ' 22' ' ' GLU . 54.7 mp0 -81.11 10.21 5.62 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.953 -1.092 . . . . 0.0 110.653 -178.483 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -150.58 -146.44 4.33 Favored Glycine 0 N--CA 1.499 2.866 0 C-N-CA 119.565 -1.302 . . . . 0.0 110.822 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 29.0 t0 -88.28 165.39 15.05 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.613 -0.934 . . . . 0.0 108.69 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 68.5 mmtt -55.45 -50.63 69.35 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.155 -0.966 . . . . 0.0 111.278 -178.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 92.1 m-85 -120.82 25.0 9.95 Favored 'General case' 0 N--CA 1.508 2.468 0 O-C-N 120.772 -1.205 . . . . 0.0 111.847 -178.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 55.4 tttt -137.96 147.34 44.18 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.667 -1.27 . . . . 0.0 109.359 179.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.556 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.6 tp -98.04 163.78 12.62 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-N 115.455 -0.793 . . . . 0.0 110.262 -177.443 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.546 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 48.0 t -130.46 160.72 33.24 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.399 -0.813 . . . . 0.0 109.395 179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -45.44 -43.72 11.63 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.327 -0.858 . . . . 0.0 112.255 -179.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -73.68 -25.81 60.42 Favored 'General case' 0 C--N 1.287 -2.123 0 O-C-N 119.7 -1.875 . . . . 0.0 110.136 -178.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HB2' ' H ' ' A' ' 29' ' ' SER . 68.2 mt-10 -77.72 -43.5 30.82 Favored 'General case' 0 C--N 1.297 -1.682 0 O-C-N 121.037 -1.039 . . . . 0.0 111.882 -179.071 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.747 HD12 ' N ' ' A' ' 34' ' ' LYS . 4.4 pp -56.04 -43.51 77.91 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.343 -1.473 . . . . 0.0 107.696 178.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.747 ' N ' HD12 ' A' ' 33' ' ' LEU . 76.4 tttt -60.08 -39.82 87.42 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.626 -178.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.5 -40.02 92.55 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.46 -0.775 . . . . 0.0 111.557 -179.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 14' ' ' VAL . 3.1 mm? -61.54 -51.39 68.77 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 120.634 -1.291 . . . . 0.0 111.129 -178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 61.6 mt -69.86 -41.04 75.38 Favored 'General case' 0 C--N 1.296 -1.756 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 -176.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' CD ' ' N ' ' A' ' 39' ' ' THR . 1.7 pp0? -73.58 -39.93 64.28 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.088 -1.007 . . . . 0.0 112.898 -176.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.492 ' N ' ' CD ' ' A' ' 38' ' ' GLN . 93.8 m -59.85 -46.62 88.7 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 119.974 -0.69 . . . . 0.0 111.201 -175.785 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -101.11 -16.22 17.13 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.309 -0.869 . . . . 0.0 112.457 -176.722 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.879 HD13 HD23 ' A' ' 45' ' ' LEU . 88.1 mt -132.98 49.01 2.35 Favored 'General case' 0 N--CA 1.505 2.308 0 O-C-N 120.772 -1.205 . . . . 0.0 109.497 -179.918 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.559 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 23.2 t -60.77 -49.8 76.04 Favored 'General case' 0 N--CA 1.489 1.482 0 O-C-N 121.55 -0.719 . . . . 0.0 110.335 179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 62.8 m -64.91 -40.2 94.7 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.339 -0.851 . . . . 0.0 111.962 -178.274 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.669 ' O ' ' O ' ' A' ' 45' ' ' LEU . 14.4 t80 -90.77 -101.36 0.1 Allowed 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.761 -1.212 . . . . 0.0 111.989 -177.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.879 HD23 HD13 ' A' ' 41' ' ' LEU . 2.0 mm? -8.5 137.43 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.357 0 CA-C-O 115.763 -2.065 . . . . 0.0 109.253 178.333 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -89.08 116.08 27.1 Favored 'General case' 0 N--CA 1.515 2.824 1 CA-C-N 126.9 4.409 . . . . 0.0 109.772 176.664 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ASP . 89.6 t -145.67 -87.09 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 O-C-N 120.794 -1.191 . . . . 0.0 110.436 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.401 ' N ' HG12 ' A' ' 47' ' ' VAL . 63.3 mm-40 -60.6 -40.42 91.73 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.997 -1.064 . . . . 0.0 111.154 -178.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 14.1 mtmm -60.87 -24.36 65.87 Favored 'General case' 0 C--N 1.295 -1.793 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 179.326 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 47' ' ' VAL . 31.7 t70 -145.19 90.22 2.02 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 178.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -57.1 -30.1 64.07 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.674 -1.232 . . . . 0.0 107.674 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.03 -39.58 86.38 Favored 'General case' 0 C--N 1.297 -1.678 0 N-CA-C 108.388 -0.967 . . . . 0.0 108.388 177.029 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.07 -39.86 87.52 Favored 'General case' 0 C--N 1.297 -1.676 0 C-N-CA 118.997 -1.081 . . . . 0.0 110.128 -177.115 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.55 -37.65 78.35 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.799 0 O-C-N 120.438 -1.414 . . . . 0.0 109.742 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.69 -40.01 80.28 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.32 -0.862 . . . . 0.0 110.889 -176.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -64.78 -39.9 94.37 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.161 -0.962 . . . . 0.0 109.393 -179.735 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.592 HD11 ' OD1' ' X' ' 8' ' ' ASN . 68.8 mt -65.82 -52.13 53.36 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 CA-C-O 121.916 0.865 . . . . 0.0 110.699 179.523 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.466 ' SD ' ' CG ' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.74 -36.17 78.22 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.699 -0.626 . . . . 0.0 110.286 -179.353 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -59.92 -43.28 95.0 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.556 -1.276 . . . . 0.0 107.556 179.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -62.08 -25.16 67.54 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 108.496 -0.927 . . . . 0.0 108.496 179.292 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' C ' ' H ' ' A' ' 63' ' ' GLU . 26.0 mt -93.28 -22.97 18.67 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.503 -0.748 . . . . 0.0 110.176 -179.387 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.466 ' CG ' ' SD ' ' A' ' 58' ' ' MET . 60.6 m-20 -76.55 45.23 0.39 Allowed 'General case' 0 C--N 1.297 -1.712 0 N-CA-C 106.851 -1.537 . . . . 0.0 106.851 178.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.475 ' H ' ' C ' ' A' ' 61' ' ' LEU . 96.2 mt-10 -60.03 -41.68 92.77 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 119.57 -0.852 . . . . 0.0 109.024 -178.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.525 HD21 ' CG ' ' A' ' 66' ' ' ASP . 38.8 p30 -75.54 -21.03 58.29 Favored 'General case' 0 C--N 1.296 -1.724 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 178.623 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.509 ' N ' ' OD1' ' A' ' 64' ' ' ASN . . . 76.93 37.65 32.73 Favored Glycine 0 N--CA 1.483 1.823 0 N-CA-C 108.131 -1.987 . . . . 0.0 108.131 -179.178 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.525 ' CG ' HD21 ' A' ' 64' ' ' ASN . 34.5 p-10 -96.81 -8.74 30.32 Favored 'General case' 0 N--CA 1.51 2.55 0 O-C-N 121.404 -1.056 . . . . 0.0 111.405 -177.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.72 10.21 86.38 Favored Glycine 0 N--CA 1.501 3.011 0 O-C-N 120.872 -1.143 . . . . 0.0 110.405 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -133.63 175.09 9.74 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 120.763 -1.434 . . . . 0.0 107.92 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 5.2 t -129.1 128.21 66.72 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.193 0 O-C-N 120.721 -1.237 . . . . 0.0 108.442 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -93.68 164.37 13.18 Favored 'General case' 0 N--CA 1.491 1.62 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 179.644 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 15' ' ' PHE . 0.1 OUTLIER -56.66 -32.18 65.14 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.059 -1.026 . . . . 0.0 109.293 -179.018 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.35 -26.87 62.08 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.826 -1.171 . . . . 0.0 109.604 179.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.432 ' O ' HG12 ' A' ' 76' ' ' VAL . 59.2 mt-10 -84.27 -46.98 11.25 Favored 'General case' 0 C--N 1.305 -1.337 0 CA-C-O 121.686 0.755 . . . . 0.0 110.138 -179.596 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.1 t80 -67.4 -42.58 83.06 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.313 -0.867 . . . . 0.0 110.954 -179.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.798 HG22 ' HB1' ' B' ' 79' ' ' ALA . 9.7 p -62.8 -37.98 80.56 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.777 0 O-C-N 121.383 -0.823 . . . . 0.0 110.636 -178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.432 HG12 ' O ' ' A' ' 73' ' ' GLU . 0.3 OUTLIER -59.9 -35.41 60.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.794 0 O-C-N 120.934 -1.104 . . . . 0.0 108.853 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.699 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.3 tm? -70.46 -51.4 29.47 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 121.44 -0.787 . . . . 0.0 112.729 -178.136 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.416 HG23 ' N ' ' A' ' 79' ' ' ALA . 34.5 m -59.76 -35.39 59.77 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.399 0 O-C-N 120.641 -1.287 . . . . 0.0 109.283 -178.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.849 ' HB1' HG22 ' B' ' 75' ' ' VAL . . . -67.18 -40.83 86.64 Favored 'General case' 0 C--N 1.289 -2.056 0 CA-C-O 121.692 0.758 . . . . 0.0 110.439 178.395 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.63 -25.8 60.47 Favored 'General case' 0 C--N 1.295 -1.77 0 O-C-N 121.289 -0.882 . . . . 0.0 112.597 -177.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.494 ' CD2' HD22 ' X' ' 11' ' ' LEU . 1.4 mm? -78.53 -44.73 23.6 Favored 'General case' 0 N--CA 1.502 2.167 0 O-C-N 120.108 -1.62 . . . . 0.0 109.983 -178.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.461 HG23 ' H ' ' A' ' 83' ' ' VAL . 0.8 OUTLIER -53.51 -49.64 67.12 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 121.175 -0.953 . . . . 0.0 109.849 178.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.461 ' H ' HG23 ' A' ' 82' ' ' THR . 15.4 m -59.92 -41.78 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.086 -1.009 . . . . 0.0 110.299 178.509 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.445 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -61.44 -23.6 65.96 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.41 -0.806 . . . . 0.0 109.077 -179.484 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.6 t -73.39 -47.51 41.47 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.716 -0.794 . . . . 0.0 110.184 -179.719 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.59 -43.1 97.74 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.272 -0.892 . . . . 0.0 110.154 -179.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -64.9 -40.19 94.7 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.41 -0.806 . . . . 0.0 110.73 -179.131 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.421 ' O ' ' CG ' ' A' ' 88' ' ' PHE . 63.9 t80 -88.2 -4.33 58.74 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.254 -0.904 . . . . 0.0 110.248 -178.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -88.46 -23.76 23.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.099 -1.001 . . . . 0.0 109.539 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 53.1 t-105 -85.68 -12.19 51.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.317 -0.864 . . . . 0.0 109.696 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 66.8 mm-40 -69.89 -39.99 75.92 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.074 -1.017 . . . . 0.0 109.273 179.482 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.419 ' O ' ' OXT' ' A' ' 93' ' ' SER . 24.9 t-20 -87.79 -7.65 57.01 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 121.437 -0.79 . . . . 0.0 109.361 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.419 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 24.3 t . . . . . 0 N--CA 1.491 1.579 0 CA-C-O 117.976 -1.011 . . . . 0.0 109.693 179.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.9 0 N-CA-C 119.578 2.591 . . . . 0.0 119.578 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.403 ' O ' ' C ' ' B' ' 3' ' ' GLU . 15.2 t -78.31 157.91 29.02 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.199 -1.177 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' C ' ' O ' ' B' ' 2' ' ' SER . 77.7 mm-40 -41.21 -56.14 2.47 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.401 -0.812 . . . . 0.0 111.228 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.418 HD23 ' HA ' ' B' ' 4' ' ' LEU . 18.1 mt -69.28 -40.93 77.45 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 120.848 -1.157 . . . . 0.0 110.277 -179.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.21 -35.73 76.09 Favored 'General case' 0 C--N 1.299 -1.62 0 C-N-CA 118.702 -1.199 . . . . 0.0 108.839 -178.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.482 ' O ' ' OG1' ' B' ' 10' ' ' THR . 93.8 m -58.4 -50.1 74.88 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 121.764 -0.585 . . . . 0.0 109.922 -178.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -67.27 -27.96 67.63 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.61 -0.681 . . . . 0.0 112.432 -178.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 91.8 mtp -70.69 -45.27 65.31 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 120.393 -1.442 . . . . 0.0 110.039 -179.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -71.8 -23.92 61.64 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.578 -0.701 . . . . 0.0 110.543 -176.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.2 OUTLIER -67.63 -57.69 5.97 Favored 'General case' 0 C--N 1.289 -2.049 0 O-C-N 121.068 -1.02 . . . . 0.0 108.599 -178.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' B' ' 11' ' ' LEU . 7.3 mp -51.02 -29.71 13.27 Favored 'General case' 0 C--N 1.297 -1.693 0 O-C-N 120.343 -1.473 . . . . 0.0 108.878 179.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 6.0 mm -69.7 -38.95 77.43 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.057 0 O-C-N 121.27 -0.894 . . . . 0.0 109.748 178.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.9 t30 -70.77 -56.14 7.03 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 121.046 -1.034 . . . . 0.0 112.865 -178.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.575 HG13 ' N ' ' B' ' 15' ' ' PHE . 7.3 p -61.34 -50.09 81.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.5 -0.75 . . . . 0.0 111.825 -177.187 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.575 ' N ' HG13 ' B' ' 14' ' ' VAL . 1.7 t80 -60.07 -39.93 87.76 Favored 'General case' 0 N--CA 1.5 2.066 0 O-C-N 121.009 -1.057 . . . . 0.0 110.351 -179.627 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.17 -39.8 87.7 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.459 -1.4 . . . . 0.0 109.877 179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.34 -52.76 64.27 Favored 'General case' 0 N--CA 1.5 2.035 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 -177.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 68.8 m80 -80.34 -45.14 18.3 Favored 'General case' 0 N--CA 1.505 2.276 0 O-C-N 120.623 -1.298 . . . . 0.0 111.473 -178.403 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -59.97 -28.26 67.53 Favored 'General case' 0 C--N 1.293 -1.885 0 N-CA-C 113.392 0.886 . . . . 0.0 113.392 -178.111 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -92.19 4.57 77.67 Favored Glycine 0 N--CA 1.497 2.73 0 O-C-N 120.436 -1.415 . . . . 0.0 110.822 -177.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -125.71 -61.41 1.25 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.365 -1.079 . . . . 0.0 110.357 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.48 ' N ' ' OE1' ' B' ' 22' ' ' GLU . 54.6 mp0 -81.05 10.1 5.69 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.889 -1.132 . . . . 0.0 110.688 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.526 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -150.28 -146.27 4.29 Favored Glycine 0 N--CA 1.498 2.784 0 C-N-CA 119.501 -1.333 . . . . 0.0 110.79 -179.753 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 28.8 t0 -88.51 165.39 14.9 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.711 -0.876 . . . . 0.0 108.745 179.493 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 68.1 mmtt -55.61 -50.6 69.71 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.192 -0.942 . . . . 0.0 111.249 -177.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.8 m-85 -120.67 24.72 10.14 Favored 'General case' 0 N--CA 1.508 2.445 0 O-C-N 120.764 -1.21 . . . . 0.0 111.832 -178.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -137.75 146.88 44.19 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 120.59 -1.319 . . . . 0.0 109.523 179.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.567 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.4 tp -97.43 164.03 12.62 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.52 -0.763 . . . . 0.0 110.32 -177.546 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.543 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 47.3 t -130.67 160.76 33.31 Favored 'General case' 0 N--CA 1.498 1.951 0 O-C-N 121.447 -0.783 . . . . 0.0 109.417 179.665 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 1.1 tmtm? -45.42 -43.56 11.39 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.23 -0.919 . . . . 0.0 112.208 -179.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 79.6 tttt -73.83 -25.92 60.33 Favored 'General case' 0 C--N 1.287 -2.139 0 O-C-N 119.637 -1.914 . . . . 0.0 110.114 -178.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.543 ' HB2' ' H ' ' B' ' 29' ' ' SER . 68.2 mt-10 -77.6 -43.64 30.94 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 121.032 -1.042 . . . . 0.0 111.815 -178.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.723 HD12 ' N ' ' B' ' 34' ' ' LYS . 4.4 pp -55.99 -43.26 77.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.377 -1.452 . . . . 0.0 107.807 179.014 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.723 ' N ' HD12 ' B' ' 33' ' ' LEU . 77.4 tttt -59.91 -40.12 87.74 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.44 -178.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -65.43 -40.09 92.87 Favored 'General case' 0 N--CA 1.499 1.994 0 O-C-N 121.466 -0.771 . . . . 0.0 111.576 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.492 ' CD1' HG22 ' B' ' 14' ' ' VAL . 3.2 mm? -61.57 -51.04 70.2 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.583 -1.323 . . . . 0.0 111.192 -178.408 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 62.2 mt -70.02 -41.18 74.63 Favored 'General case' 0 C--N 1.296 -1.753 0 N-CA-C 113.572 0.952 . . . . 0.0 113.572 -176.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.488 ' CD ' ' N ' ' B' ' 39' ' ' THR . 1.7 pp0? -73.45 -39.91 64.59 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.13 -0.981 . . . . 0.0 112.979 -176.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.488 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.8 m -60.12 -46.8 88.42 Favored 'General case' 0 C--N 1.299 -1.612 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.07 -175.586 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -100.95 -16.31 17.22 Favored 'General case' 0 N--CA 1.503 2.219 0 O-C-N 121.194 -0.941 . . . . 0.0 112.311 -176.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.847 HD13 HD23 ' B' ' 45' ' ' LEU . 88.1 mt -132.28 48.92 2.37 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 120.791 -1.193 . . . . 0.0 109.65 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.539 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 22.2 t -61.02 -49.76 76.1 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.323 -0.861 . . . . 0.0 110.281 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 65.4 m -65.05 -40.12 94.32 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 111.815 -178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.63 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 15.2 t80 -91.83 -87.61 0.21 Allowed 'General case' 0 N--CA 1.5 2.026 0 O-C-N 120.853 -1.155 . . . . 0.0 113.424 -177.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.847 HD23 HD13 ' B' ' 41' ' ' LEU . 1.7 mm? -31.42 144.28 0.01 OUTLIER 'General case' 0 N--CA 1.519 3.016 0 CA-C-O 117.367 -1.301 . . . . 0.0 108.084 -174.267 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.569 ' CG ' ' H ' ' Y' ' 8' ' ' ASN . 6.3 m-20 -89.21 115.09 26.46 Favored 'General case' 0 N--CA 1.505 2.275 0 CA-C-N 124.381 3.264 . . . . 0.0 109.332 179.508 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 87.8 t -145.47 -86.79 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.043 -1.036 . . . . 0.0 110.135 179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 62.7 mm-40 -60.84 -39.91 90.84 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.082 -1.011 . . . . 0.0 111.227 -178.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.539 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 12.7 mtmm -60.98 -24.82 66.4 Favored 'General case' 0 C--N 1.294 -1.812 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 179.245 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -144.94 90.05 2.02 Favored 'General case' 0 C--N 1.3 -1.583 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 178.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -56.73 -30.05 63.13 Favored 'General case' 0 N--CA 1.489 1.508 0 N-CA-C 107.673 -1.232 . . . . 0.0 107.673 -179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.3 m-20 -60.09 -39.82 87.45 Favored 'General case' 0 C--N 1.299 -1.616 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 177.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.69 -40.47 87.99 Favored 'General case' 0 C--N 1.3 -1.58 0 C-N-CA 118.9 -1.12 . . . . 0.0 110.139 -177.119 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.92 -37.78 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.908 0 O-C-N 120.409 -1.432 . . . . 0.0 109.747 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -68.71 -40.02 80.17 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.285 -0.884 . . . . 0.0 110.863 -176.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.1 mtpp -64.76 -39.94 94.45 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.096 -1.003 . . . . 0.0 109.347 -179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.571 HD11 ' CG ' ' Y' ' 8' ' ' ASN . 74.3 mt -65.66 -52.08 54.8 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-O 121.915 0.864 . . . . 0.0 110.679 179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.467 ' SD ' ' CG ' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -60.66 -36.25 78.24 Favored 'General case' 0 C--N 1.296 -1.756 0 O-C-N 121.895 -0.503 . . . . 0.0 110.284 -179.255 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 10.7 ttpt -60.01 -43.02 95.52 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.584 -1.265 . . . . 0.0 107.584 179.157 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -62.74 -23.18 67.06 Favored 'General case' 0 N--CA 1.488 1.447 0 N-CA-C 108.76 -0.83 . . . . 0.0 108.76 179.257 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.486 ' C ' ' H ' ' B' ' 63' ' ' GLU . 25.4 mt -94.96 -23.03 17.58 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.536 -0.727 . . . . 0.0 110.146 -179.761 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.467 ' CG ' ' SD ' ' B' ' 58' ' ' MET . 60.8 m-20 -76.7 45.06 0.39 Allowed 'General case' 0 C--N 1.296 -1.748 0 N-CA-C 106.952 -1.499 . . . . 0.0 106.952 178.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.486 ' H ' ' C ' ' B' ' 61' ' ' LEU . 96.0 mt-10 -60.07 -41.59 92.75 Favored 'General case' 0 C--N 1.306 -1.307 0 C-N-CA 119.563 -0.855 . . . . 0.0 108.885 -178.113 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.528 HD21 ' CG ' ' B' ' 66' ' ' ASP . 39.0 p30 -75.47 -20.84 58.55 Favored 'General case' 0 C--N 1.296 -1.722 0 N-CA-C 107.017 -1.475 . . . . 0.0 107.017 178.392 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.524 ' N ' ' OD1' ' B' ' 64' ' ' ASN . . . 76.91 37.5 33.25 Favored Glycine 0 N--CA 1.485 1.917 0 N-CA-C 108.101 -2.0 . . . . 0.0 108.101 -179.128 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.528 ' CG ' HD21 ' B' ' 64' ' ' ASN . 34.8 p-10 -96.84 -9.01 29.57 Favored 'General case' 0 N--CA 1.509 2.497 0 O-C-N 121.44 -1.035 . . . . 0.0 111.491 -177.714 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.8 10.61 86.12 Favored Glycine 0 N--CA 1.5 2.943 0 N-CA-C 110.361 -1.096 . . . . 0.0 110.361 -179.763 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -133.72 175.25 9.62 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.823 -1.398 . . . . 0.0 107.683 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 6.2 t -129.16 128.26 66.65 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.153 0 O-C-N 120.787 -1.195 . . . . 0.0 108.327 179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -93.89 164.04 13.27 Favored 'General case' 0 N--CA 1.49 1.563 0 N-CA-C 108.157 -1.053 . . . . 0.0 108.157 179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.445 ' CE2' ' CD1' ' B' ' 15' ' ' PHE . 0.1 OUTLIER -56.14 -32.35 64.19 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.121 -0.987 . . . . 0.0 109.482 -179.049 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 97.6 mt-30 -72.18 -26.93 62.26 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.772 -1.205 . . . . 0.0 109.746 178.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.426 ' O ' HG12 ' B' ' 76' ' ' VAL . 59.3 mt-10 -84.39 -46.42 11.73 Favored 'General case' 0 C--N 1.306 -1.296 0 CA-C-O 121.801 0.81 . . . . 0.0 110.255 -179.625 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -67.68 -42.87 81.39 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.293 -0.88 . . . . 0.0 110.849 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.849 HG22 ' HB1' ' A' ' 79' ' ' ALA . 8.5 p -62.51 -37.92 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.693 0 O-C-N 121.477 -0.764 . . . . 0.0 110.642 -178.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.426 HG12 ' O ' ' B' ' 73' ' ' GLU . 0.3 OUTLIER -59.95 -35.47 61.04 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.806 0 O-C-N 120.962 -1.086 . . . . 0.0 108.879 -179.72 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.69 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.4 tm? -70.45 -51.51 28.73 Favored 'General case' 0 N--CA 1.501 2.099 0 O-C-N 121.523 -0.735 . . . . 0.0 112.841 -178.156 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.41 HG23 ' N ' ' B' ' 79' ' ' ALA . 34.4 m -59.75 -34.82 56.83 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.364 0 O-C-N 120.531 -1.356 . . . . 0.0 109.261 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.798 ' HB1' HG22 ' A' ' 75' ' ' VAL . . . -67.5 -41.04 85.14 Favored 'General case' 0 C--N 1.291 -1.941 0 CA-C-O 121.801 0.81 . . . . 0.0 110.42 178.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.58 -25.9 60.57 Favored 'General case' 0 C--N 1.296 -1.727 0 O-C-N 121.327 -0.858 . . . . 0.0 112.531 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.586 HD12 ' CZ3' ' Y' ' 7' ' ' TRP . 1.5 mm? -78.62 -44.87 22.88 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.163 -1.586 . . . . 0.0 109.884 -178.662 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.455 HG23 ' H ' ' B' ' 83' ' ' VAL . 0.8 OUTLIER -53.19 -49.6 66.37 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 121.063 -1.023 . . . . 0.0 109.737 179.04 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.455 ' H ' HG23 ' B' ' 82' ' ' THR . 15.1 m -60.01 -41.42 86.14 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.167 -0.958 . . . . 0.0 110.123 178.628 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.438 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -60.93 -23.93 65.64 Favored 'General case' 0 C--N 1.301 -1.501 0 O-C-N 121.505 -0.747 . . . . 0.0 109.185 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.4 t -73.61 -48.13 34.94 Favored 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.51 -0.744 . . . . 0.0 110.098 -179.338 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.0 t-20 -59.99 -43.41 95.18 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.211 -0.931 . . . . 0.0 110.166 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -65.02 -39.95 94.17 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.325 -0.86 . . . . 0.0 110.75 -179.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' B' ' 88' ' ' PHE . 65.2 t80 -88.51 -3.72 58.76 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.088 -1.007 . . . . 0.0 110.249 -178.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -88.89 -24.12 22.58 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.09 -1.006 . . . . 0.0 109.449 179.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 52.7 t-105 -85.24 -12.16 53.17 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.388 -0.82 . . . . 0.0 109.586 -179.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 67.0 mm-40 -70.08 -39.86 75.36 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.118 -0.989 . . . . 0.0 109.158 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.419 ' O ' ' OXT' ' B' ' 93' ' ' SER . 25.1 t-20 -87.93 -7.84 56.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.498 -0.751 . . . . 0.0 109.251 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.419 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 23.9 t . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 117.956 -1.021 . . . . 0.0 109.683 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.484 1.261 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.572 ' C ' ' H ' ' X' ' 4' ' ' LYS . 46.2 ptt85 -156.16 161.71 40.3 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.261 -0.899 . . . . 0.0 108.856 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 2.7 m 63.78 -18.88 0.06 Allowed 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.437 -0.789 . . . . 0.0 110.252 -179.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.572 ' H ' ' C ' ' X' ' 2' ' ' ARG . 13.3 mptt -100.66 135.02 42.76 Favored 'General case' 0 N--CA 1.499 2.02 0 O-C-N 121.279 -0.888 . . . . 0.0 109.625 -179.676 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.441 ' O ' ' OD2' ' A' ' 50' ' ' ASP . 4.6 pt -110.57 127.17 67.78 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-O 121.619 0.723 . . . . 0.0 109.103 179.4 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 25.2 p-10 -122.31 21.57 10.3 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 108.883 -0.784 . . . . 0.0 108.883 -179.306 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.687 ' O ' HG22 ' X' ' 10' ' ' ILE . 43.0 t90 -58.86 -49.8 76.39 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.289 -0.882 . . . . 0.0 109.974 -178.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.823 ' ND2' ' H ' ' A' ' 46' ' ' ASP . 13.3 m-20 -51.4 -34.87 36.39 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 120.162 -1.587 . . . . 0.0 108.432 179.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -55.05 -26.1 35.23 Favored 'General case' 0 C--N 1.301 -1.509 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 178.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.687 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.7 tt -53.42 -33.91 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 N-CA-C 105.932 -1.877 . . . . 0.0 105.932 177.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.622 HD13 ' C ' ' X' ' 11' ' ' LEU . 3.1 tm? -64.15 -46.19 85.15 Favored 'General case' 0 C--N 1.295 -1.765 0 N-CA-C 108.037 -1.097 . . . . 0.0 108.037 179.467 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 44.3 p . . . . . 0 N--CA 1.488 1.463 0 CA-C-O 118.12 -0.943 . . . . 0.0 109.819 179.435 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.49 1.535 0 CA-C-O 121.181 0.515 . . . . 0.0 109.682 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . . . . . . . . . 11.9 mmm180 -99.48 132.16 45.0 Favored 'General case' 0 N--CA 1.496 1.869 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . . . . . . . . . 17.7 p -135.13 73.12 1.46 Allowed 'General case' 0 N--CA 1.495 1.81 0 N-CA-C 108.932 -0.766 . . . . 0.0 108.932 -179.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 14.8 mtmm -140.76 158.18 44.34 Favored 'General case' 0 N--CA 1.498 1.967 0 CA-C-O 121.553 0.692 . . . . 0.0 109.873 -179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.43 ' O ' ' OD2' ' B' ' 50' ' ' ASP . 10.5 pt -87.56 121.15 37.8 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 O-C-N 121.25 -0.906 . . . . 0.0 108.945 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . 0.424 ' OD1' ' OD2' ' B' ' 50' ' ' ASP . 87.2 m-20 -113.06 22.35 14.45 Favored 'General case' 0 N--CA 1.501 2.124 0 O-C-N 121.39 -0.819 . . . . 0.0 110.282 -178.418 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.64 ' O ' HG22 ' Y' ' 10' ' ' ILE . 31.3 t90 -57.95 -48.71 79.14 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.143 -0.973 . . . . 0.0 110.997 -179.188 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.583 ' N ' ' OD2' ' B' ' 46' ' ' ASP . 0.1 OUTLIER -49.37 -38.69 29.39 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.151 -1.593 . . . . 0.0 108.525 179.703 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.578 ' N ' ' ND2' ' Y' ' 8' ' ' ASN . 15.6 ttpp -57.3 -24.35 54.46 Favored 'General case' 0 C--N 1.296 -1.739 0 N-CA-C 107.42 -1.326 . . . . 0.0 107.42 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.64 HG22 ' O ' ' Y' ' 7' ' ' TRP . 14.0 tt -54.7 -37.87 41.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 178.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . . . . . . . . . 45.0 tp -66.38 -40.1 89.47 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . . . . . . . . . 32.9 t . . . . . 0 N--CA 1.494 1.766 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.614 178.997 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.535 5.261 0 N-CA-C 119.332 2.493 . . . . 0.0 119.332 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.41 ' OG ' ' CD ' ' B' ' 40' ' ' GLU . 46.9 t -80.77 159.95 25.03 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.728 -1.454 . . . . 0.0 109.069 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.521 ' CD ' ' H ' ' A' ' 3' ' ' GLU . 37.2 mp0 -52.19 -46.22 65.47 Favored 'General case' 0 N--CA 1.487 1.378 0 O-C-N 121.36 -0.838 . . . . 0.0 110.188 -177.793 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.417 HD23 ' HA ' ' A' ' 4' ' ' LEU . 27.7 mt -70.3 -40.13 74.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.312 -0.868 . . . . 0.0 110.277 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.4 mt-10 -67.52 -27.93 67.39 Favored 'General case' 0 C--N 1.295 -1.767 0 O-C-N 121.099 -1.001 . . . . 0.0 108.937 179.632 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 92.3 m -59.35 -45.0 92.61 Favored 'General case' 0 C--N 1.304 -1.373 0 O-C-N 121.232 -0.917 . . . . 0.0 109.726 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.16 -31.84 70.76 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 112.502 0.556 . . . . 0.0 112.502 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 18.1 ttt -69.6 -50.84 40.65 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 120.184 -1.572 . . . . 0.0 110.328 -178.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -70.68 -32.69 70.03 Favored 'General case' 0 C--N 1.291 -1.961 0 O-C-N 121.77 -0.582 . . . . 0.0 112.095 -177.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.446 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 0.6 OUTLIER -66.68 -53.41 34.0 Favored 'General case' 0 C--N 1.306 -1.314 0 C-N-CA 118.137 -1.425 . . . . 0.0 109.42 -178.342 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.446 ' N ' ' CG2' ' A' ' 10' ' ' THR . 8.1 mp -50.65 -39.86 51.88 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 120.62 -1.3 . . . . 0.0 109.118 179.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 79.1 mt -66.53 -38.09 80.97 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.38 -0.825 . . . . 0.0 111.527 -178.466 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.2 t-20 -79.6 -42.0 25.9 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 119.997 -1.689 . . . . 0.0 112.486 -178.355 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.443 HG13 ' N ' ' A' ' 15' ' ' PHE . 8.8 p -59.79 -39.4 79.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.256 0 O-C-N 120.5 -1.375 . . . . 0.0 108.483 -179.478 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.444 ' CZ ' HD22 ' A' ' 28' ' ' LEU . 0.2 OUTLIER -60.41 -38.89 85.45 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 109.246 -0.65 . . . . 0.0 109.246 179.028 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 31.3 m170 -62.83 -36.24 82.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.444 -1.41 . . . . 0.0 110.364 179.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.24 -57.4 13.21 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.172 -0.955 . . . . 0.0 113.499 -177.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.462 ' ND1' HD21 ' A' ' 36' ' ' LEU . 31.6 m80 -84.72 -40.19 17.62 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 120.758 -1.214 . . . . 0.0 111.804 -177.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 60.2 p -56.74 -29.96 63.06 Favored 'General case' 0 C--N 1.295 -1.775 0 O-C-N 121.279 -0.888 . . . . 0.0 112.672 -178.53 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.16 16.49 59.21 Favored Glycine 0 N--CA 1.503 3.162 0 O-C-N 120.577 -1.327 . . . . 0.0 111.445 -177.674 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -125.74 -64.54 1.05 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 121.246 -1.15 . . . . 0.0 109.492 179.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.509 ' OE1' ' CE ' ' A' ' 31' ' ' LYS . 98.6 mt-10 -91.31 18.53 6.97 Favored 'General case' 0 C--N 1.293 -1.872 0 O-C-N 121.358 -0.839 . . . . 0.0 111.668 -177.671 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -154.28 -156.08 7.52 Favored Glycine 0 N--CA 1.497 2.743 0 C-N-CA 119.548 -1.311 . . . . 0.0 110.363 -179.573 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.436 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 35.8 t0 -79.84 157.71 26.94 Favored 'General case' 0 C--N 1.309 -1.173 0 N-CA-C 107.263 -1.384 . . . . 0.0 107.263 178.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 67.8 mttm -57.53 -50.15 74.03 Favored 'General case' 0 C--N 1.292 -1.932 0 O-C-N 121.066 -1.021 . . . . 0.0 112.176 -177.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.441 ' OH ' ' O ' ' B' ' 86' ' ' ASN . 9.0 t80 -109.01 21.46 17.17 Favored 'General case' 0 N--CA 1.508 2.474 0 O-C-N 120.274 -1.516 . . . . 0.0 110.926 -178.012 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -141.32 148.07 39.15 Favored 'General case' 0 N--CA 1.49 1.564 0 CA-C-O 122.485 1.136 . . . . 0.0 110.178 179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.444 HD22 ' CZ ' ' A' ' 15' ' ' PHE . 6.6 tp -92.51 166.27 12.61 Favored 'General case' 0 C--N 1.295 -1.764 0 CA-C-N 115.141 -0.936 . . . . 0.0 108.873 -179.447 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.57 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.9 t -131.23 163.14 28.42 Favored 'General case' 0 N--CA 1.5 2.031 0 O-C-N 121.31 -0.869 . . . . 0.0 110.321 -179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 55.8 tttt -50.27 -39.61 45.65 Favored 'General case' 0 N--CA 1.495 1.798 0 C-N-CA 118.981 -1.088 . . . . 0.0 112.015 179.78 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.509 ' CE ' ' OE1' ' A' ' 22' ' ' GLU . 9.5 ttpp -75.96 -29.89 58.45 Favored 'General case' 0 C--N 1.294 -1.827 0 O-C-N 119.756 -1.84 . . . . 0.0 109.977 -179.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.57 ' HB2' ' H ' ' A' ' 29' ' ' SER . 83.4 mt-10 -71.47 -40.5 70.24 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.962 -1.086 . . . . 0.0 111.69 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.421 ' HG ' ' H ' ' A' ' 34' ' ' LYS . 3.1 pp -61.14 -39.57 90.56 Favored 'General case' 0 N--CA 1.511 2.581 0 O-C-N 120.382 -1.449 . . . . 0.0 108.003 178.031 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.421 ' H ' ' HG ' ' A' ' 33' ' ' LEU . 12.0 tptm -60.75 -39.38 88.53 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-N 114.87 -1.059 . . . . 0.0 110.72 179.597 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -73.96 -51.72 15.1 Favored 'General case' 0 C--N 1.292 -1.914 0 N-CA-C 112.994 0.738 . . . . 0.0 112.994 -178.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.462 HD21 ' ND1' ' A' ' 18' ' ' HIS . 40.2 mt -60.91 -41.12 95.5 Favored 'General case' 0 N--CA 1.5 2.059 0 O-C-N 119.861 -1.774 . . . . 0.0 109.747 -178.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD21 ' CE2' ' A' ' 74' ' ' PHE . 70.6 mt -70.11 -37.94 75.48 Favored 'General case' 0 C--N 1.289 -2.057 0 CA-C-O 122.231 1.015 . . . . 0.0 110.019 -179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.484 ' O ' ' CB ' ' A' ' 42' ' ' SER . 45.5 tt0 -75.93 -39.75 55.53 Favored 'General case' 0 C--N 1.302 -1.497 0 CA-C-O 121.537 0.684 . . . . 0.0 111.34 -178.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 93.9 m -59.9 -50.08 75.17 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.552 -0.717 . . . . 0.0 112.292 -175.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.411 ' CD ' ' OG ' ' B' ' 2' ' ' SER . 62.1 mm-40 -101.1 -24.06 14.36 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 120.926 -1.109 . . . . 0.0 111.779 -176.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 63.2 mt -118.2 32.8 5.95 Favored 'General case' 0 N--CA 1.499 2.015 0 N-CA-C 108.167 -1.049 . . . . 0.0 108.167 179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.49 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 0.1 OUTLIER -51.85 -62.53 1.57 Allowed 'General case' 0 N--CA 1.487 1.405 0 CA-C-O 121.818 0.818 . . . . 0.0 109.93 -179.896 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.49 ' N ' ' OG ' ' A' ' 42' ' ' SER . 58.4 m -70.38 -23.51 62.79 Favored 'General case' 0 N--CA 1.493 1.718 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.083 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.625 ' O ' ' O ' ' A' ' 45' ' ' LEU . 4.4 t80 -82.57 -104.75 0.04 OUTLIER 'General case' 0 N--CA 1.504 2.252 0 O-C-N 120.14 -1.6 . . . . 0.0 110.257 -177.744 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.625 ' O ' ' O ' ' A' ' 44' ' ' PHE . 4.3 mp -16.34 151.23 0.0 OUTLIER 'General case' 0 N--CA 1.526 3.364 0 CA-C-O 117.699 -1.143 . . . . 0.0 109.461 173.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.823 ' H ' ' ND2' ' X' ' 8' ' ' ASN . 0.2 OUTLIER -89.93 95.34 10.18 Favored 'General case' 0 N--CA 1.508 2.473 0 CA-C-N 123.83 3.014 . . . . 0.0 107.738 174.326 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.436 HG12 ' N ' ' A' ' 48' ' ' GLN . 5.2 t -126.82 -69.74 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.512 2.637 0 O-C-N 121.051 -1.03 . . . . 0.0 109.298 -179.568 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.484 ' CD ' ' NE2' ' A' ' 38' ' ' GLN . 21.1 mm100 -68.75 -45.05 72.47 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.928 -1.107 . . . . 0.0 112.082 -177.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 0.0 OUTLIER -60.58 -51.21 70.37 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 -178.879 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.441 ' OD2' ' O ' ' X' ' 5' ' ' ILE . 98.2 m-20 -101.38 94.78 6.1 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.049 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -36.56 78.3 Favored 'General case' 0 N--CA 1.491 1.598 0 N-CA-C 107.165 -1.42 . . . . 0.0 107.165 179.495 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -59.31 -39.5 83.27 Favored 'General case' 0 C--N 1.298 -1.669 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 177.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -54.51 -36.4 64.18 Favored 'General case' 0 C--N 1.299 -1.613 0 C-N-CA 118.568 -1.253 . . . . 0.0 108.651 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.42 -39.21 80.37 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.721 0 O-C-N 120.218 -1.551 . . . . 0.0 108.118 178.136 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -67.22 -40.29 86.39 Favored 'General case' 0 N--CA 1.508 2.454 0 O-C-N 121.414 -0.804 . . . . 0.0 112.395 -178.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.2 mptp? -67.26 -40.0 86.15 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.336 -1.478 . . . . 0.0 109.281 -178.723 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . . . . . . . . . 50.3 mt -68.26 -49.88 62.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 CA-C-O 121.516 0.674 . . . . 0.0 110.461 179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.43 ' O ' ' N ' ' A' ' 62' ' ' ASP . 0.5 OUTLIER -59.89 -42.17 93.21 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.392 -0.817 . . . . 0.0 110.615 -179.373 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -45.51 94.21 Favored 'General case' 0 C--N 1.282 -2.356 0 N-CA-C 108.129 -1.063 . . . . 0.0 108.129 179.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 52.4 tp10 -59.54 -26.86 65.7 Favored 'General case' 0 C--N 1.294 -1.807 0 N-CA-C 107.529 -1.286 . . . . 0.0 107.529 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.501 ' C ' ' H ' ' A' ' 63' ' ' GLU . 23.8 mt -94.24 -18.13 21.99 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.864 -0.522 . . . . 0.0 110.485 -179.674 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 58' ' ' MET . 99.8 m-20 -75.58 43.7 0.25 Allowed 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 107.219 -1.4 . . . . 0.0 107.219 179.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' A' ' 61' ' ' LEU . 47.7 mt-10 -61.12 -42.98 99.51 Favored 'General case' 0 C--N 1.303 -1.442 0 C-N-CA 119.24 -0.984 . . . . 0.0 109.092 -178.461 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -76.47 -14.84 60.02 Favored 'General case' 0 C--N 1.298 -1.653 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 178.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.8 31.39 70.17 Favored Glycine 0 N--CA 1.484 1.839 0 N-CA-C 108.198 -1.961 . . . . 0.0 108.198 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.2 p-10 -92.05 -9.71 41.78 Favored 'General case' 0 N--CA 1.5 2.047 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.843 -178.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.85 14.93 70.96 Favored Glycine 0 N--CA 1.5 2.959 0 N-CA-C 109.359 -1.496 . . . . 0.0 109.359 -179.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -139.05 176.73 8.45 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 107.297 -1.372 . . . . 0.0 107.297 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.424 ' O ' ' CB ' ' A' ' 28' ' ' LEU . 2.4 t -134.38 124.15 44.6 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.13 0 N-CA-C 107.202 -1.407 . . . . 0.0 107.202 178.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.487 ' O ' ' CB ' ' A' ' 71' ' ' PHE . 38.0 p-10 -103.43 -22.36 13.66 Favored 'General case' 0 N--CA 1.506 2.326 0 O-C-N 120.229 -1.544 . . . . 0.0 111.319 -177.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.556 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.2 OUTLIER 159.81 -80.92 0.0 OUTLIER 'General case' 0 N--CA 1.505 2.287 0 O-C-N 121.449 -0.782 . . . . 0.0 110.352 178.519 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.534 ' O ' HG23 ' A' ' 76' ' ' VAL . 7.3 tt0 -38.09 -23.94 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.182 0 CA-C-O 121.772 0.796 . . . . 0.0 110.051 -177.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.556 ' N ' ' O ' ' A' ' 71' ' ' PHE . 92.6 mt-10 -82.97 -46.84 12.41 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 120.813 -1.179 . . . . 0.0 109.482 179.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 71' ' ' PHE . 46.8 t80 -66.09 -55.4 16.7 Favored 'General case' 0 C--N 1.293 -1.864 0 O-C-N 121.539 -0.726 . . . . 0.0 112.441 -178.178 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.468 HG21 ' CG1' ' B' ' 83' ' ' VAL . 0.8 OUTLIER -59.88 -31.32 47.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.083 0 O-C-N 121.279 -0.888 . . . . 0.0 110.013 -177.697 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 72' ' ' GLN . 43.5 t -63.37 -37.81 80.5 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 C-N-CA 119.302 -0.959 . . . . 0.0 109.358 177.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.684 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.3 tm? -70.41 -57.86 4.36 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 121.331 -0.856 . . . . 0.0 112.183 -177.209 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.543 HG23 ' N ' ' A' ' 79' ' ' ALA . 14.9 m -60.1 -40.15 82.51 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.039 0 O-C-N 121.117 -0.989 . . . . 0.0 109.31 -178.504 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.543 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -59.4 -43.25 93.02 Favored 'General case' 0 C--N 1.291 -1.962 0 CA-C-O 121.833 0.825 . . . . 0.0 109.583 179.214 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.65 -23.7 59.89 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -177.68 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.439 HD11 ' HB2' ' X' ' 11' ' ' LEU . 6.1 mp -83.18 -46.52 12.62 Favored 'General case' 0 N--CA 1.511 2.624 0 O-C-N 119.601 -1.937 . . . . 0.0 110.233 -178.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.492 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 6.1 t -55.9 -40.77 73.51 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.954 -1.092 . . . . 0.0 110.675 179.681 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.456 HG23 ' N ' ' A' ' 84' ' ' ALA . 17.1 m -59.66 -42.06 87.23 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 O-C-N 120.181 -1.574 . . . . 0.0 108.875 176.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -63.43 -25.46 68.28 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 109.105 -0.702 . . . . 0.0 109.105 -179.774 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.492 ' SG ' ' O ' ' A' ' 82' ' ' THR . 1.2 p -75.05 -37.27 61.72 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.213 -0.929 . . . . 0.0 109.042 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.446 ' CG ' ' HH ' ' B' ' 26' ' ' TYR . 28.4 t-20 -60.24 -40.43 90.2 Favored 'General case' 0 N--CA 1.488 1.462 0 N-CA-C 108.584 -0.895 . . . . 0.0 108.584 179.014 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -59.79 -39.87 86.41 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.26 -0.9 . . . . 0.0 110.456 -179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.4 m-85 -91.69 0.1 57.52 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.223 -0.923 . . . . 0.0 109.833 -179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.463 ' CD1' ' O ' ' A' ' 89' ' ' PHE . 64.6 t80 -83.2 -9.56 59.08 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.452 -0.78 . . . . 0.0 109.292 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 1.8 p-90 -67.76 -21.03 65.28 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.545 -0.722 . . . . 0.0 109.65 -179.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.9 -39.43 89.26 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.206 -0.934 . . . . 0.0 108.777 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 17.1 t-20 -88.62 -8.02 55.38 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.38 -0.825 . . . . 0.0 109.147 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.3 -1.545 0 CA-C-O 117.964 -1.017 . . . . 0.0 109.468 179.483 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.843 0 N-CA-C 119.392 2.517 . . . . 0.0 119.392 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.411 ' OG ' ' CD ' ' A' ' 40' ' ' GLU . 44.9 t -79.81 158.96 26.68 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.02 -1.283 . . . . 0.0 109.367 179.755 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.497 ' H ' ' CD ' ' B' ' 3' ' ' GLU . 40.2 mp0 -51.27 -47.04 62.6 Favored 'General case' 0 C--N 1.302 -1.459 0 C-N-CA 119.837 -0.745 . . . . 0.0 109.87 -177.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.44 HD23 ' HA ' ' B' ' 4' ' ' LEU . 25.7 mt -70.07 -39.6 75.52 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.435 -0.79 . . . . 0.0 110.351 -179.818 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -67.9 -27.43 66.63 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.878 -1.139 . . . . 0.0 109.007 179.281 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 90.3 m -59.4 -45.55 91.19 Favored 'General case' 0 C--N 1.3 -1.545 0 CA-C-O 121.87 0.843 . . . . 0.0 109.426 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.49 -30.98 68.97 Favored 'General case' 0 C--N 1.304 -1.407 0 N-CA-C 112.748 0.647 . . . . 0.0 112.748 -178.103 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 ttt -70.04 -50.07 44.96 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 120.634 -1.291 . . . . 0.0 110.38 -178.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -71.36 -34.51 70.54 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.524 -0.735 . . . . 0.0 111.916 -177.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.448 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 0.6 OUTLIER -64.58 -53.81 41.95 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 120.413 -1.43 . . . . 0.0 109.5 -178.54 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.448 ' N ' ' CG2' ' B' ' 10' ' ' THR . 7.3 mp -50.48 -40.3 50.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 120.51 -1.369 . . . . 0.0 109.22 179.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 79.3 mt -65.77 -39.32 84.49 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.011 0 O-C-N 121.231 -0.918 . . . . 0.0 111.635 -178.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -78.45 -42.23 30.5 Favored 'General case' 0 N--CA 1.512 2.63 0 O-C-N 120.025 -1.672 . . . . 0.0 112.764 -178.065 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.455 HG13 ' N ' ' B' ' 15' ' ' PHE . 8.5 p -59.55 -40.15 81.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 120.459 -1.401 . . . . 0.0 108.102 -178.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.455 ' N ' HG13 ' B' ' 14' ' ' VAL . 0.2 OUTLIER -59.91 -38.8 83.34 Favored 'General case' 0 C--N 1.293 -1.886 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 179.086 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 32.3 m170 -63.56 -35.9 82.03 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 120.501 -1.374 . . . . 0.0 110.049 179.28 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.12 -57.1 14.55 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 121.138 -0.977 . . . . 0.0 113.284 -177.326 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.494 ' ND1' HD21 ' B' ' 36' ' ' LEU . 35.1 m80 -84.57 -40.24 17.79 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.919 -1.113 . . . . 0.0 112.025 -177.736 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.429 ' O ' ' O ' ' B' ' 24' ' ' ASP . 59.6 p -57.26 -29.31 63.73 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.458 -0.776 . . . . 0.0 113.012 -178.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -98.13 14.15 62.75 Favored Glycine 0 N--CA 1.5 2.921 0 O-C-N 120.68 -1.263 . . . . 0.0 111.157 -177.258 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 68.9 mttm -125.41 -63.7 1.12 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.334 -1.097 . . . . 0.0 109.972 179.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.494 ' OE1' ' NZ ' ' B' ' 31' ' ' LYS . 99.5 mt-10 -91.63 18.52 7.37 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.322 -0.861 . . . . 0.0 111.615 -177.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.566 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -153.81 -156.77 7.79 Favored Glycine 0 N--CA 1.495 2.619 0 C-N-CA 119.521 -1.323 . . . . 0.0 110.552 -179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.492 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 38.6 t0 -78.88 158.13 28.15 Favored 'General case' 0 C--N 1.305 -1.334 0 N-CA-C 107.174 -1.417 . . . . 0.0 107.174 179.003 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.492 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 67.0 mttm -57.8 -50.56 72.86 Favored 'General case' 0 C--N 1.29 -2.008 0 C-N-CA 119.091 -1.044 . . . . 0.0 112.135 -177.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.446 ' HH ' ' CG ' ' A' ' 86' ' ' ASN . 9.2 t80 -109.0 21.43 17.22 Favored 'General case' 0 N--CA 1.511 2.618 0 O-C-N 120.267 -1.521 . . . . 0.0 111.133 -178.084 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -140.64 147.71 39.74 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.878 -1.139 . . . . 0.0 110.084 179.278 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.416 ' CB ' ' O ' ' B' ' 69' ' ' VAL . 5.9 tp -91.31 166.98 12.63 Favored 'General case' 0 C--N 1.299 -1.603 0 CA-C-N 115.405 -0.816 . . . . 0.0 108.937 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.542 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 28.7 t -132.04 163.53 28.23 Favored 'General case' 0 N--CA 1.502 2.163 0 O-C-N 121.164 -0.96 . . . . 0.0 109.874 179.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 52.1 tttt -50.76 -38.51 48.26 Favored 'General case' 0 N--CA 1.493 1.703 0 C-N-CA 118.87 -1.132 . . . . 0.0 112.325 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.494 ' NZ ' ' OE1' ' B' ' 22' ' ' GLU . 9.7 ttpp -76.98 -30.31 55.91 Favored 'General case' 0 C--N 1.294 -1.824 0 O-C-N 119.754 -1.841 . . . . 0.0 109.546 -179.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.566 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 83.2 mt-10 -70.64 -41.59 71.99 Favored 'General case' 0 C--N 1.297 -1.674 0 O-C-N 120.767 -1.208 . . . . 0.0 111.515 -179.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.427 ' HG ' ' H ' ' B' ' 34' ' ' LYS . 2.9 pp -59.79 -39.98 86.76 Favored 'General case' 0 N--CA 1.506 2.361 0 O-C-N 120.151 -1.593 . . . . 0.0 108.221 177.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.427 ' H ' ' HG ' ' B' ' 33' ' ' LEU . 11.3 tptm -60.69 -38.9 86.49 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-N 115.089 -0.96 . . . . 0.0 110.882 -179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -74.03 -51.58 15.42 Favored 'General case' 0 C--N 1.291 -1.958 0 N-CA-C 113.217 0.821 . . . . 0.0 113.217 -177.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.494 HD21 ' ND1' ' B' ' 18' ' ' HIS . 46.3 mt -61.57 -41.47 97.44 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 119.946 -1.721 . . . . 0.0 109.687 -178.585 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.431 HD21 ' CE2' ' B' ' 74' ' ' PHE . 80.0 mt -69.66 -36.65 76.23 Favored 'General case' 0 C--N 1.292 -1.897 0 CA-C-O 122.013 0.911 . . . . 0.0 109.763 -179.41 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.504 ' O ' ' CB ' ' B' ' 42' ' ' SER . 41.6 tt0 -76.7 -39.89 50.55 Favored 'General case' 0 N--CA 1.487 1.412 0 CA-C-O 121.806 0.812 . . . . 0.0 111.417 -178.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 96.8 m -60.25 -49.68 76.65 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.72 -0.613 . . . . 0.0 112.159 -175.628 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.41 ' CD ' ' OG ' ' A' ' 2' ' ' SER . 55.2 mm-40 -101.28 -24.98 14.14 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.765 -1.209 . . . . 0.0 111.417 -177.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 66.0 mt -115.81 30.22 7.48 Favored 'General case' 0 N--CA 1.503 2.198 0 N-CA-C 108.17 -1.048 . . . . 0.0 108.17 179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -49.92 -62.55 1.5 Allowed 'General case' 0 N--CA 1.494 1.763 0 CA-C-O 121.62 0.724 . . . . 0.0 110.137 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.459 ' N ' ' OG ' ' B' ' 42' ' ' SER . 63.0 m -71.12 -23.15 62.03 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.826 -0.546 . . . . 0.0 112.372 -178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.438 ' CG ' ' N ' ' B' ' 45' ' ' LEU . 4.0 t80 -83.1 -91.76 0.07 Allowed 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.273 -1.517 . . . . 0.0 112.623 -177.098 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.438 ' N ' ' CG ' ' B' ' 44' ' ' PHE . 2.4 mp -39.07 158.98 0.01 OUTLIER 'General case' 0 N--CA 1.502 2.151 0 N-CA-C 108.182 -1.044 . . . . 0.0 108.182 -177.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.583 ' OD2' ' N ' ' Y' ' 8' ' ' ASN . 0.5 OUTLIER -89.5 94.94 10.06 Favored 'General case' 0 N--CA 1.502 2.161 0 CA-C-N 122.329 2.331 . . . . 0.0 107.826 177.283 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.41 HG12 ' N ' ' B' ' 48' ' ' GLN . 6.8 t -127.38 -68.78 0.64 Allowed 'Isoleucine or valine' 0 N--CA 1.507 2.421 0 O-C-N 121.214 -0.929 . . . . 0.0 109.706 -179.35 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.495 ' CD ' ' NE2' ' B' ' 38' ' ' GLN . 19.9 mm100 -68.99 -43.53 74.69 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.058 -1.026 . . . . 0.0 112.052 -177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.493 ' CE ' ' O ' ' B' ' 42' ' ' SER . 0.0 OUTLIER -62.02 -51.68 67.03 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 -179.246 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.43 ' OD2' ' O ' ' Y' ' 5' ' ' ILE . 95.3 m-20 -101.28 94.82 6.14 Favored 'General case' 0 C--N 1.3 -1.546 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 178.299 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.63 -36.82 79.58 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 107.011 -1.477 . . . . 0.0 107.011 179.429 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 94.2 m-20 -59.87 -39.85 86.66 Favored 'General case' 0 C--N 1.299 -1.592 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 177.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -52.96 -38.05 61.74 Favored 'General case' 0 C--N 1.3 -1.569 0 C-N-CA 118.516 -1.274 . . . . 0.0 108.621 -177.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.83 -39.78 80.87 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.442 0 O-C-N 120.181 -1.574 . . . . 0.0 107.522 179.46 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.3 m-20 -66.06 -41.43 90.79 Favored 'General case' 0 N--CA 1.506 2.365 0 O-C-N 121.367 -0.833 . . . . 0.0 112.361 -178.557 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.1 mptp? -66.6 -39.76 88.54 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.174 -1.579 . . . . 0.0 109.257 -178.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . . . . . . . . . 44.0 mt -68.44 -49.13 68.76 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.765 0 CA-C-O 121.475 0.655 . . . . 0.0 110.856 -179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.438 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.4 OUTLIER -60.81 -40.44 92.72 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.709 -0.62 . . . . 0.0 110.802 -179.066 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.83 -45.43 92.67 Favored 'General case' 0 C--N 1.284 -2.27 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 179.466 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 51.7 tp10 -59.89 -25.31 64.99 Favored 'General case' 0 C--N 1.294 -1.819 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.262 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.497 ' C ' ' H ' ' B' ' 63' ' ' GLU . 19.2 mt -94.96 -19.41 20.25 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.85 -0.531 . . . . 0.0 110.278 179.491 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.438 ' OD1' ' SD ' ' B' ' 58' ' ' MET . 98.7 m-20 -74.78 43.23 0.19 Allowed 'General case' 0 C--N 1.299 -1.592 0 O-C-N 120.382 -1.449 . . . . 0.0 107.742 179.349 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.497 ' H ' ' C ' ' B' ' 61' ' ' LEU . 47.1 mt-10 -60.59 -43.6 97.19 Favored 'General case' 0 C--N 1.302 -1.464 0 C-N-CA 119.26 -0.976 . . . . 0.0 109.397 -178.545 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -75.74 -15.51 60.27 Favored 'General case' 0 C--N 1.3 -1.579 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.98 30.49 67.8 Favored Glycine 0 N--CA 1.482 1.702 0 N-CA-C 108.183 -1.967 . . . . 0.0 108.183 -179.771 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.418 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 30.8 p-10 -91.5 -9.45 44.37 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 121.285 -1.126 . . . . 0.0 111.004 -177.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 69.43 16.4 71.48 Favored Glycine 0 N--CA 1.495 2.584 0 N-CA-C 109.317 -1.513 . . . . 0.0 109.317 -179.041 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -140.11 175.44 9.59 Favored 'General case' 0 N--CA 1.491 1.591 0 N-CA-C 106.993 -1.484 . . . . 0.0 106.993 179.684 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.416 ' O ' ' CB ' ' B' ' 28' ' ' LEU . 2.5 t -132.54 124.56 51.71 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.088 0 N-CA-C 107.023 -1.473 . . . . 0.0 107.023 178.373 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.467 ' O ' ' CB ' ' B' ' 71' ' ' PHE . 39.2 p-10 -103.33 -23.31 13.59 Favored 'General case' 0 N--CA 1.507 2.414 0 O-C-N 120.311 -1.493 . . . . 0.0 111.109 -177.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.566 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.2 OUTLIER 160.61 -80.48 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.438 0 O-C-N 121.41 -0.806 . . . . 0.0 110.661 178.231 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.597 ' O ' HG23 ' B' ' 76' ' ' VAL . 7.4 tt0 -38.85 -23.73 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.083 0 CA-C-O 121.584 0.707 . . . . 0.0 109.973 -177.749 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.566 ' N ' ' O ' ' B' ' 71' ' ' PHE . 91.2 mt-10 -82.66 -45.07 14.96 Favored 'General case' 0 C--N 1.29 -2.001 0 O-C-N 120.864 -1.148 . . . . 0.0 109.685 178.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.501 ' N ' ' O ' ' B' ' 71' ' ' PHE . 48.4 t80 -67.85 -54.8 16.11 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.729 -0.607 . . . . 0.0 112.573 -178.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.439 HG21 ' CG1' ' A' ' 83' ' ' VAL . 0.7 OUTLIER -60.13 -31.1 47.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 O-C-N 121.214 -0.929 . . . . 0.0 109.703 -177.732 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.597 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.7 t -62.85 -39.4 84.84 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 120.9 -1.125 . . . . 0.0 109.512 177.667 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.7 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.3 tm? -69.69 -57.75 4.76 Favored 'General case' 0 N--CA 1.504 2.232 0 O-C-N 120.923 -1.111 . . . . 0.0 112.284 -177.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.516 HG23 ' N ' ' B' ' 79' ' ' ALA . 19.7 m -60.36 -40.2 83.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 120.727 -1.233 . . . . 0.0 109.268 -178.197 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.516 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -59.74 -40.04 86.73 Favored 'General case' 0 C--N 1.293 -1.89 0 CA-C-O 121.701 0.763 . . . . 0.0 110.146 179.086 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -76.54 -23.44 53.63 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 121.372 -0.83 . . . . 0.0 113.006 -177.622 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.0 mp -83.45 -46.11 12.88 Favored 'General case' 0 N--CA 1.51 2.572 0 O-C-N 119.451 -2.031 . . . . 0.0 110.063 -178.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.491 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 6.0 t -55.26 -42.02 72.97 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.243 -0.911 . . . . 0.0 110.408 179.787 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.468 ' CG1' HG21 ' A' ' 75' ' ' VAL . 18.5 m -59.53 -40.65 82.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.777 0 O-C-N 120.502 -1.374 . . . . 0.0 108.755 177.007 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.462 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -65.13 -25.43 67.76 Favored 'General case' 0 N--CA 1.49 1.535 0 N-CA-C 109.222 -0.658 . . . . 0.0 109.222 -179.275 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.491 ' SG ' ' O ' ' B' ' 82' ' ' THR . 1.0 OUTLIER -75.36 -36.97 60.87 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.289 -0.882 . . . . 0.0 109.373 179.619 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.441 ' O ' ' OH ' ' A' ' 26' ' ' TYR . 28.4 t-20 -60.06 -40.21 88.67 Favored 'General case' 0 N--CA 1.49 1.543 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 178.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -59.96 -40.6 89.62 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.577 -0.702 . . . . 0.0 109.902 -178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -90.93 0.25 57.56 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 121.141 -0.974 . . . . 0.0 109.884 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.453 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 62.6 t80 -83.66 -9.92 58.55 Favored 'General case' 0 C--N 1.295 -1.765 0 O-C-N 121.28 -0.887 . . . . 0.0 109.207 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 1.9 p-90 -67.24 -20.95 65.75 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.102 -0.999 . . . . 0.0 109.678 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.3 mt-10 -60.53 -40.12 90.32 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 120.931 -1.106 . . . . 0.0 108.951 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 16.7 t-20 -88.38 -6.99 57.37 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.553 -0.717 . . . . 0.0 109.147 179.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.489 1.521 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.516 179.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . 0.445 ' O ' ' OD2' ' X' ' 6' ' ' ASP . 50.6 p . . . . . 0 N--CA 1.492 1.639 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . . . . . . . . . 8.4 ptm180 -67.25 -19.39 65.51 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.212 -0.93 . . . . 0.0 109.228 179.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 71.5 p -80.02 169.96 17.12 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.392 -0.818 . . . . 0.0 110.075 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.548 ' O ' ' O ' ' X' ' 5' ' ' ILE . 13.7 mptt 55.72 33.76 22.01 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.674 -0.641 . . . . 0.0 109.369 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . 0.548 ' O ' ' O ' ' X' ' 4' ' ' LYS . 0.1 OUTLIER 44.42 170.57 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.503 2.181 0 CA-C-O 121.982 0.896 . . . . 0.0 111.075 179.431 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . 0.445 ' OD2' ' O ' ' X' ' 1' ' ' THR . 53.8 m-20 -159.66 13.53 0.14 Allowed 'General case' 0 N--CA 1.496 1.853 0 N-CA-C 108.072 -1.085 . . . . 0.0 108.072 -179.546 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.687 ' O ' HG22 ' X' ' 10' ' ' ILE . 38.6 t90 -59.99 -50.1 75.08 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 112.811 0.671 . . . . 0.0 112.811 -177.383 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.506 ' CG ' HD11 ' A' ' 57' ' ' ILE . 7.0 t-20 -53.02 -33.75 53.16 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 119.732 -1.855 . . . . 0.0 108.682 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 31.3 ttpt -63.27 -25.69 68.43 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 178.561 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.687 HG22 ' O ' ' X' ' 7' ' ' TRP . 8.9 tt -50.36 -36.44 13.43 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.722 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . . . . . . . . . 41.3 tp -69.96 -39.95 75.7 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 108.3 -1.0 . . . . 0.0 108.3 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 23.3 m . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 118.037 -0.982 . . . . 0.0 109.498 179.77 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.42 ' O ' ' OG1' ' Y' ' 3' ' ' THR . 14.9 ptm180 -100.01 8.61 43.88 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 121.361 -0.837 . . . . 0.0 110.098 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . 0.421 ' O ' ' OG1' ' Y' ' 3' ' ' THR . 3.2 p 60.46 87.73 0.09 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.179 -0.951 . . . . 0.0 109.296 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . 0.523 ' CD ' ' N ' ' Y' ' 4' ' ' LYS . 10.2 mptt -62.44 -53.25 57.62 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.422 -0.799 . . . . 0.0 110.47 -178.692 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . . . . . . . . . 4.1 tt -172.73 134.85 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.581 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 34.0 t0 -146.11 9.06 1.1 Allowed 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 107.544 -1.28 . . . . 0.0 107.544 179.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.621 ' O ' HG22 ' Y' ' 10' ' ' ILE . 48.4 t90 -59.99 -49.61 76.98 Favored 'General case' 0 C--N 1.3 -1.546 0 CA-C-N 115.379 -0.828 . . . . 0.0 112.312 -178.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.59 ' ND2' HD11 ' B' ' 57' ' ' ILE . 0.2 OUTLIER -51.33 -38.54 53.6 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 119.717 -1.865 . . . . 0.0 108.463 -179.156 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.408 ' O ' ' OXT' ' Y' ' 12' ' ' SER . 0.6 OUTLIER -60.25 -23.4 64.06 Favored 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 178.541 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.621 HG22 ' O ' ' Y' ' 7' ' ' TRP . 13.2 tt -50.46 -39.75 17.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.968 0 N-CA-C 106.548 -1.649 . . . . 0.0 106.548 178.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.434 ' N ' ' CG2' ' Y' ' 10' ' ' ILE . 55.8 tp -64.39 -43.4 94.59 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 177.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . 0.408 ' OXT' ' O ' ' Y' ' 9' ' ' LYS . 1.4 m . . . . . 0 N--CA 1.487 1.411 0 CA-C-O 118.029 -0.986 . . . . 0.0 109.342 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.824 0 N-CA-C 119.716 2.646 . . . . 0.0 119.716 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -86.1 35.32 0.64 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.32 -1.106 . . . . 0.0 108.884 179.664 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -60.08 -39.94 87.82 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.537 -0.727 . . . . 0.0 110.012 -179.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.434 ' O ' HD23 ' A' ' 4' ' ' LEU . 6.5 tt -60.16 -40.38 89.69 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.693 -1.255 . . . . 0.0 108.887 -179.844 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -59.98 -36.54 77.37 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.131 -0.981 . . . . 0.0 109.062 179.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.495 ' O ' ' OG1' ' A' ' 10' ' ' THR . 22.3 m -53.56 -46.1 70.13 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.47 -0.769 . . . . 0.0 110.437 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.16 -31.53 72.77 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.8 -0.563 . . . . 0.0 112.509 -177.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.3 ttt -69.02 -50.0 52.64 Favored 'General case' 0 C--N 1.297 -1.714 0 O-C-N 120.787 -1.196 . . . . 0.0 110.757 -177.831 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -68.49 -29.45 68.06 Favored 'General case' 0 C--N 1.293 -1.85 0 O-C-N 121.697 -0.627 . . . . 0.0 110.306 -176.394 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.495 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -62.2 -56.96 13.5 Favored 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.165 -1.014 . . . . 0.0 109.392 -179.673 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 9.8 mp -50.09 -39.97 44.24 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.059 -1.651 . . . . 0.0 109.36 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 60.8 mt -66.92 -25.61 34.86 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.731 0 O-C-N 121.112 -0.992 . . . . 0.0 109.778 179.415 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.74 -53.4 7.57 Favored 'General case' 0 N--CA 1.502 2.173 0 O-C-N 121.181 -0.949 . . . . 0.0 112.152 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.645 HG23 ' N ' ' A' ' 15' ' ' PHE . 22.9 m -65.09 -48.49 83.63 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.668 0 O-C-N 121.564 -0.71 . . . . 0.0 110.926 -177.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.645 ' N ' HG23 ' A' ' 14' ' ' VAL . 4.6 t80 -60.0 -41.72 92.69 Favored 'General case' 0 C--N 1.301 -1.51 0 O-C-N 121.149 -0.969 . . . . 0.0 109.559 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 54.7 t-80 -61.0 -40.04 92.02 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 120.313 -1.492 . . . . 0.0 109.386 179.196 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.14 -55.88 28.43 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 113.559 0.948 . . . . 0.0 113.559 -177.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 92.2 m-70 -82.6 -41.29 19.7 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.904 -1.123 . . . . 0.0 111.879 -177.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 20.3 m -52.66 -28.42 21.52 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.333 -0.855 . . . . 0.0 112.161 -178.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.92 11.43 49.09 Favored Glycine 0 N--CA 1.504 3.196 0 O-C-N 120.739 -1.226 . . . . 0.0 111.244 -178.4 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.528 ' C ' ' H ' ' A' ' 23' ' ' GLY . 95.0 mttt -127.01 -74.38 0.59 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.031 -1.276 . . . . 0.0 109.269 179.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.403 ' OE1' ' OD2' ' A' ' 35' ' ' ASP . 98.9 mt-10 -64.91 15.16 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.119 -0.988 . . . . 0.0 110.402 -179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.528 ' H ' ' C ' ' A' ' 21' ' ' LYS . . . -171.15 176.45 44.48 Favored Glycine 0 N--CA 1.484 1.842 0 C-N-CA 119.074 -1.536 . . . . 0.0 110.814 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.499 ' O ' ' O ' ' A' ' 23' ' ' GLY . 95.5 m-20 -36.84 163.14 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.834 0 CA-C-O 122.037 0.922 . . . . 0.0 110.941 -178.139 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -53.12 -50.11 65.14 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.563 -0.711 . . . . 0.0 111.733 -177.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 61.5 m-85 -131.6 39.3 3.51 Favored 'General case' 0 N--CA 1.506 2.349 0 O-C-N 120.828 -1.17 . . . . 0.0 111.861 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.9 tptt -137.35 143.08 41.84 Favored 'General case' 0 N--CA 1.503 2.193 0 O-C-N 120.753 -1.217 . . . . 0.0 109.57 179.178 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.426 HD13 ' CE2' ' A' ' 15' ' ' PHE . 6.0 tp -96.62 102.37 14.15 Favored 'General case' 0 N--CA 1.495 1.787 0 CA-C-O 122.298 1.046 . . . . 0.0 108.513 -179.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.421 ' O ' ' N ' ' A' ' 32' ' ' GLU . 78.6 p -72.48 157.02 38.41 Favored 'General case' 0 C--N 1.29 -2.019 0 O-C-N 120.744 -1.223 . . . . 0.0 108.531 178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.536 ' HA ' HD12 ' A' ' 33' ' ' LEU . 0.1 OUTLIER -46.97 -32.04 3.6 Favored 'General case' 0 N--CA 1.493 1.688 0 C-N-CA 119.062 -1.055 . . . . 0.0 109.141 178.078 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -75.12 -34.95 61.73 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.884 -1.135 . . . . 0.0 108.447 179.425 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 14.0 mm-40 -61.58 -39.98 93.09 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.103 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.719 HD11 HG21 ' A' ' 69' ' ' VAL . 38.5 mt -60.02 -49.08 79.07 Favored 'General case' 0 N--CA 1.489 1.479 0 CA-C-O 122.078 0.942 . . . . 0.0 109.801 178.415 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' GLN . 0.2 OUTLIER -51.84 -45.55 64.04 Favored 'General case' 0 C--N 1.293 -1.883 0 C-N-CA 119.532 -0.867 . . . . 0.0 110.348 -176.135 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.428 ' O ' ' OG1' ' A' ' 39' ' ' THR . 76.8 m-20 -72.61 -26.92 61.86 Favored 'General case' 0 C--N 1.294 -1.841 0 O-C-N 121.366 -0.834 . . . . 0.0 111.287 -178.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.43 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 0.9 OUTLIER -69.03 -56.46 7.68 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.177 -1.577 . . . . 0.0 109.914 -178.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.661 ' H ' HD22 ' A' ' 37' ' ' LEU . 1.2 mm? -69.33 -40.08 77.79 Favored 'General case' 0 C--N 1.298 -1.67 0 CA-C-O 121.811 0.815 . . . . 0.0 110.705 -178.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.402 ' CB ' ' O ' ' A' ' 34' ' ' LYS . 9.0 tt0 -69.71 -40.36 76.34 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.6 0.714 . . . . 0.0 112.917 -177.066 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 95.9 m -60.01 -49.96 75.62 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.215 -0.928 . . . . 0.0 112.271 -175.268 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.43 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 44.3 mp0 -100.21 -17.62 17.27 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.95 -1.094 . . . . 0.0 111.741 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.527 HD13 HD13 ' A' ' 45' ' ' LEU . 16.0 mt -131.54 50.05 2.27 Favored 'General case' 0 N--CA 1.507 2.42 0 O-C-N 120.942 -1.099 . . . . 0.0 110.208 -178.835 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.48 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 41.1 t -63.36 -48.77 76.53 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.05 -1.031 . . . . 0.0 110.296 179.663 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 74.4 m -68.35 -40.44 81.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.54 -0.725 . . . . 0.0 112.457 -177.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.585 ' O ' ' C ' ' A' ' 45' ' ' LEU . 22.2 t80 -86.52 -105.68 0.06 Allowed 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.477 -1.389 . . . . 0.0 111.741 -178.194 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.585 ' C ' ' O ' ' A' ' 44' ' ' PHE . 1.9 mp -9.08 130.44 0.0 OUTLIER 'General case' 0 N--CA 1.522 3.131 0 CA-C-O 115.201 -2.333 . . . . 0.0 109.288 177.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' H ' ' HB2' ' X' ' 8' ' ' ASN . 15.0 t0 -90.17 110.47 21.5 Favored 'General case' 0 N--CA 1.521 3.092 1 CA-C-N 127.491 4.678 . . . . 0.0 109.551 177.696 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 48' ' ' GLN . 6.5 m -144.82 -40.87 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 O-C-N 120.643 -1.285 . . . . 0.0 110.814 179.604 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.488 ' N ' HG23 ' A' ' 47' ' ' VAL . 6.4 tm0? -93.47 -34.22 13.49 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.091 -1.006 . . . . 0.0 111.889 -177.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' NZ ' ' O ' ' A' ' 42' ' ' SER . 23.3 mtmm -69.25 -26.8 64.96 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 120.967 -1.083 . . . . 0.0 109.561 -179.729 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.486 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 13.4 p-10 -140.22 87.91 2.18 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 120.994 -1.066 . . . . 0.0 108.231 177.027 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.56 -25.21 3.86 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -179.756 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -60.01 -40.02 87.81 Favored 'General case' 0 C--N 1.302 -1.485 0 N-CA-C 107.652 -1.24 . . . . 0.0 107.652 177.024 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 50' ' ' ASP . . . -59.91 -39.83 86.75 Favored 'General case' 0 C--N 1.302 -1.491 0 C-N-CA 119.094 -1.043 . . . . 0.0 108.713 -179.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -62.25 -33.98 61.66 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.466 0 O-C-N 121.114 -0.991 . . . . 0.0 109.312 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 57.3 t0 -69.97 -40.03 75.64 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.755 -1.216 . . . . 0.0 110.983 -177.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 25.6 mtpp -69.82 -40.06 76.11 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.198 -0.939 . . . . 0.0 109.935 -179.503 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.506 HD11 ' CG ' ' X' ' 8' ' ' ASN . 65.3 mt -66.94 -56.84 12.25 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 CA-C-O 121.718 0.771 . . . . 0.0 110.337 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.407 ' SD ' ' CG ' ' A' ' 30' ' ' LYS . 4.2 ttt -59.99 -33.99 72.71 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.709 -0.619 . . . . 0.0 109.889 -179.254 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 16.4 ttpt -60.05 -41.18 91.76 Favored 'General case' 0 C--N 1.295 -1.787 0 N-CA-C 107.41 -1.33 . . . . 0.0 107.41 178.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.99 -26.41 66.79 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.377 -0.971 . . . . 0.0 108.377 179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.554 HD22 ' O ' ' A' ' 73' ' ' GLU . 25.6 mt -86.61 -30.75 21.57 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.464 -0.773 . . . . 0.0 109.418 179.055 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -73.42 47.61 0.23 Allowed 'General case' 0 C--N 1.298 -1.66 0 N-CA-C 107.409 -1.33 . . . . 0.0 107.409 179.459 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.476 ' N ' ' O ' ' A' ' 61' ' ' LEU . 94.6 mt-10 -59.94 -40.75 90.03 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 119.643 -0.823 . . . . 0.0 108.979 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 19.3 t-20 -74.13 -24.7 59.47 Favored 'General case' 0 C--N 1.298 -1.638 0 N-CA-C 106.56 -1.644 . . . . 0.0 106.56 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 80.04 39.09 17.21 Favored Glycine 0 N--CA 1.485 1.963 0 N-CA-C 107.862 -2.095 . . . . 0.0 107.862 -179.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 38.0 p-10 -96.14 -10.54 27.98 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.491 -1.005 . . . . 0.0 112.071 -177.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.64 -2.06 87.23 Favored Glycine 0 N--CA 1.505 3.271 0 O-C-N 120.872 -1.143 . . . . 0.0 111.206 179.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 24.0 mp0 -141.98 173.6 11.37 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 120.363 -1.669 . . . . 0.0 108.411 179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.719 HG21 HD11 ' A' ' 33' ' ' LEU . 2.4 t -126.14 129.96 72.15 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.598 0 N-CA-C 107.463 -1.31 . . . . 0.0 107.463 -178.689 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.583 ' O ' ' HB2' ' A' ' 71' ' ' PHE . 32.7 p-10 -105.88 -13.49 15.49 Favored 'General case' 0 N--CA 1.508 2.457 0 O-C-N 120.859 -1.151 . . . . 0.0 112.772 -176.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.594 ' O ' ' N ' ' A' ' 73' ' ' GLU . 0.1 OUTLIER 152.88 -86.99 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.948 0 CA-C-N 118.826 0.739 . . . . 0.0 110.923 176.724 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.623 ' O ' HG23 ' A' ' 76' ' ' VAL . 57.4 tt0 -37.1 -24.64 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.206 0 O-C-N 121.47 -0.769 . . . . 0.0 110.525 -177.555 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.594 ' N ' ' O ' ' A' ' 71' ' ' PHE . 96.9 mt-10 -82.5 -49.09 10.29 Favored 'General case' 0 C--N 1.293 -1.884 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 177.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.555 ' N ' ' O ' ' A' ' 71' ' ' PHE . 72.8 t80 -63.15 -49.96 72.29 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.739 -0.601 . . . . 0.0 112.047 -179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.669 ' HB ' ' HB1' ' B' ' 79' ' ' ALA . 0.0 OUTLIER -57.75 -35.84 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.558 0 O-C-N 121.02 -1.05 . . . . 0.0 109.113 -179.189 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 72' ' ' GLN . 47.4 t -59.98 -39.98 81.75 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.544 0 O-C-N 121.151 -0.968 . . . . 0.0 109.449 178.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.706 HD13 ' C ' ' A' ' 77' ' ' LEU . 3.2 tm? -65.97 -52.46 49.41 Favored 'General case' 0 N--CA 1.507 2.417 0 O-C-N 121.173 -0.955 . . . . 0.0 111.956 -178.777 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 1.5 t -60.0 -39.2 79.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.904 0 O-C-N 120.898 -1.126 . . . . 0.0 109.011 -178.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.675 ' HB1' ' HB ' ' B' ' 75' ' ' VAL . . . -60.05 -47.88 84.02 Favored 'General case' 0 C--N 1.288 -2.103 0 CA-C-O 122.348 1.07 . . . . 0.0 110.971 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.88 -24.73 60.89 Favored 'General case' 0 C--N 1.29 -1.996 0 N-CA-C 113.845 1.054 . . . . 0.0 113.845 -175.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 82.6 mt -81.01 -49.09 11.36 Favored 'General case' 0 N--CA 1.506 2.337 0 O-C-N 119.574 -1.954 . . . . 0.0 109.924 -179.535 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.449 HG23 ' N ' ' A' ' 83' ' ' VAL . 2.8 t -49.29 -47.19 47.11 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.068 -1.02 . . . . 0.0 110.443 179.071 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.504 HG11 HG21 ' B' ' 75' ' ' VAL . 22.4 m -60.06 -41.06 85.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.992 -1.067 . . . . 0.0 109.987 178.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.451 ' N ' HG23 ' A' ' 83' ' ' VAL . . . -62.8 -23.81 67.43 Favored 'General case' 0 C--N 1.299 -1.593 0 O-C-N 121.484 -0.76 . . . . 0.0 109.47 -179.494 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.0 t -73.33 -48.4 34.64 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 121.434 -0.791 . . . . 0.0 110.299 -179.25 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -61.59 -41.76 97.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.118 -0.989 . . . . 0.0 109.743 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.41 ' OD1' ' O ' ' A' ' 87' ' ' ASN . 49.3 t-20 -62.13 -40.07 94.71 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.337 -0.852 . . . . 0.0 110.306 -179.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.442 ' O ' ' CD2' ' A' ' 88' ' ' PHE . 65.2 t80 -82.48 -10.75 58.89 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.223 -0.923 . . . . 0.0 109.98 -178.733 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -80.55 -34.09 35.7 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.258 -0.901 . . . . 0.0 108.599 179.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -77.19 -21.45 53.91 Favored 'General case' 0 C--N 1.304 -1.38 0 O-C-N 121.606 -0.684 . . . . 0.0 110.577 -179.082 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -60.12 -40.01 88.23 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.873 -1.142 . . . . 0.0 109.013 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.404 ' O ' ' O ' ' A' ' 93' ' ' SER . 14.8 t-20 -83.83 -1.68 54.85 Favored 'General case' 0 N--CA 1.49 1.546 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 179.687 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.404 ' O ' ' O ' ' A' ' 92' ' ' ASN . 32.5 t . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 118.024 -0.989 . . . . 0.0 109.378 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.947 0 N-CA-C 119.538 2.575 . . . . 0.0 119.538 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.7 m -85.84 35.61 0.63 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.351 -1.088 . . . . 0.0 108.988 179.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 95.2 mt-10 -60.12 -39.92 87.94 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.42 -0.8 . . . . 0.0 110.142 -179.734 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.437 ' O ' HD23 ' B' ' 4' ' ' LEU . 6.6 tt -60.17 -40.3 89.45 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.765 -1.21 . . . . 0.0 108.947 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -59.98 -36.62 77.53 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.054 -1.029 . . . . 0.0 108.997 179.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.498 ' O ' ' OG1' ' B' ' 10' ' ' THR . 22.3 m -53.4 -46.45 69.7 Favored 'General case' 0 C--N 1.295 -1.761 0 O-C-N 121.526 -0.734 . . . . 0.0 110.459 -179.654 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -31.88 73.19 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 -177.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.0 ttt -69.18 -50.05 51.12 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.85 -1.156 . . . . 0.0 110.747 -177.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -68.4 -29.72 68.47 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.704 -0.622 . . . . 0.0 110.304 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -61.85 -57.23 12.62 Favored 'General case' 0 C--N 1.296 -1.752 0 C-N-CA 119.307 -0.957 . . . . 0.0 109.371 -179.683 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 10.5 mp -49.85 -40.08 41.16 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 120.097 -1.627 . . . . 0.0 109.435 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 65.0 mt -66.96 -25.48 34.47 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 O-C-N 121.112 -0.993 . . . . 0.0 109.84 179.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -77.68 -53.62 7.33 Favored 'General case' 0 N--CA 1.502 2.165 0 O-C-N 121.22 -0.925 . . . . 0.0 112.102 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.626 HG23 ' N ' ' B' ' 15' ' ' PHE . 21.6 m -64.92 -48.42 84.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.739 0 O-C-N 121.644 -0.66 . . . . 0.0 110.933 -177.806 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.626 ' N ' HG23 ' B' ' 14' ' ' VAL . 4.9 t80 -60.0 -41.79 92.85 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.186 -0.946 . . . . 0.0 109.584 -179.036 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 54.6 t-80 -61.13 -39.97 92.05 Favored 'General case' 0 C--N 1.295 -1.799 0 O-C-N 120.357 -1.464 . . . . 0.0 109.38 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.03 -56.03 26.69 Favored 'General case' 0 N--CA 1.5 2.029 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -177.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.425 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 91.9 m-70 -82.42 -41.65 19.61 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.893 -1.13 . . . . 0.0 111.813 -177.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.415 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 19.8 m -52.54 -28.24 19.95 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.399 -0.813 . . . . 0.0 112.151 -178.251 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -105.07 11.27 48.48 Favored Glycine 0 N--CA 1.503 3.101 0 O-C-N 120.769 -1.207 . . . . 0.0 111.381 -178.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.538 ' C ' ' H ' ' B' ' 23' ' ' GLY . 95.0 mttt -126.87 -74.28 0.6 Allowed 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.012 -1.287 . . . . 0.0 109.271 178.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.94 15.14 0.02 OUTLIER 'General case' 0 C--N 1.299 -1.621 0 O-C-N 121.078 -1.014 . . . . 0.0 110.364 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' B' ' 21' ' ' LYS . . . -171.21 176.76 44.43 Favored Glycine 0 N--CA 1.484 1.897 0 C-N-CA 119.121 -1.514 . . . . 0.0 110.818 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.497 ' O ' ' O ' ' B' ' 23' ' ' GLY . 95.1 m-20 -37.0 163.13 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.86 0 CA-C-O 122.026 0.917 . . . . 0.0 110.981 -178.124 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 29.8 mmtp -53.09 -50.11 65.08 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.518 -0.739 . . . . 0.0 111.74 -177.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -131.47 38.68 3.58 Favored 'General case' 0 N--CA 1.505 2.297 0 O-C-N 120.822 -1.173 . . . . 0.0 111.871 -177.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 25.6 tptt -137.02 142.9 42.49 Favored 'General case' 0 N--CA 1.504 2.243 0 O-C-N 120.666 -1.271 . . . . 0.0 109.61 179.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.416 HD13 ' CE2' ' B' ' 15' ' ' PHE . 6.0 tp -96.41 102.37 14.15 Favored 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 122.353 1.073 . . . . 0.0 108.589 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.426 ' O ' ' N ' ' B' ' 32' ' ' GLU . 78.7 p -72.48 156.96 38.48 Favored 'General case' 0 C--N 1.289 -2.031 0 O-C-N 120.702 -1.249 . . . . 0.0 108.558 178.728 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.539 ' HA ' HD12 ' B' ' 33' ' ' LEU . 0.1 OUTLIER -46.92 -32.0 3.52 Favored 'General case' 0 N--CA 1.492 1.625 0 C-N-CA 119.053 -1.059 . . . . 0.0 109.233 178.034 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -75.17 -34.9 61.61 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.904 -1.123 . . . . 0.0 108.431 179.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.479 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 13.8 mm-40 -61.62 -39.95 93.12 Favored 'General case' 0 C--N 1.301 -1.506 0 N-CA-C 106.937 -1.505 . . . . 0.0 106.937 178.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.704 HD11 HG21 ' B' ' 69' ' ' VAL . 37.4 mt -60.09 -49.03 79.27 Favored 'General case' 0 N--CA 1.489 1.49 0 CA-C-O 121.955 0.883 . . . . 0.0 109.685 178.502 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.401 ' O ' ' CB ' ' B' ' 38' ' ' GLN . 0.2 OUTLIER -51.9 -45.69 64.3 Favored 'General case' 0 C--N 1.293 -1.862 0 C-N-CA 119.601 -0.84 . . . . 0.0 110.286 -176.074 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 76.9 m-20 -72.44 -26.88 62.0 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 121.308 -0.87 . . . . 0.0 111.364 -178.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.432 HD13 ' HA ' ' B' ' 36' ' ' LEU . 0.9 OUTLIER -69.18 -56.4 7.75 Favored 'General case' 0 N--CA 1.5 2.055 0 O-C-N 120.186 -1.571 . . . . 0.0 109.935 -178.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.646 HD22 ' H ' ' B' ' 37' ' ' LEU . 1.3 mm? -69.55 -39.97 77.11 Favored 'General case' 0 C--N 1.297 -1.679 0 CA-C-O 121.795 0.807 . . . . 0.0 110.632 -178.632 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.401 ' CB ' ' O ' ' B' ' 34' ' ' LYS . 9.4 tt0 -69.84 -40.23 75.95 Favored 'General case' 0 N--CA 1.494 1.754 0 N-CA-C 112.875 0.694 . . . . 0.0 112.875 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 97.8 m -59.94 -50.01 75.43 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.239 -0.913 . . . . 0.0 112.311 -175.366 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.426 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 44.6 mp0 -100.06 -17.76 17.32 Favored 'General case' 0 N--CA 1.501 2.097 0 O-C-N 121.03 -1.044 . . . . 0.0 111.657 -177.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.518 HD13 HD13 ' B' ' 45' ' ' LEU . 16.9 mt -131.39 49.92 2.28 Favored 'General case' 0 N--CA 1.507 2.393 0 O-C-N 120.96 -1.088 . . . . 0.0 110.172 -178.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.449 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 42.4 t -63.13 -49.08 75.8 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.111 -0.993 . . . . 0.0 110.296 179.711 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 75.4 m -68.22 -40.01 82.2 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.56 -0.712 . . . . 0.0 112.552 -177.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.601 ' CZ ' ' CZ3' ' Y' ' 7' ' ' TRP . 22.5 t80 -87.61 -91.95 0.11 Allowed 'General case' 0 N--CA 1.498 1.97 0 O-C-N 120.641 -1.287 . . . . 0.0 113.171 -177.588 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.529 ' C ' ' O ' ' B' ' 44' ' ' PHE . 1.4 mp -32.33 137.53 0.06 Allowed 'General case' 0 N--CA 1.515 2.788 0 CA-C-O 116.899 -1.524 . . . . 0.0 108.19 -174.6 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.481 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 17.0 t0 -90.23 110.02 21.08 Favored 'General case' 0 N--CA 1.51 2.535 0 CA-C-N 124.999 3.545 . . . . 0.0 109.054 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.49 HG23 ' N ' ' B' ' 48' ' ' GLN . 10.0 m -145.04 -40.85 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.972 -1.08 . . . . 0.0 110.497 179.755 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.49 ' N ' HG23 ' B' ' 47' ' ' VAL . 6.6 tm0? -93.37 -34.48 13.46 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 121.121 -0.987 . . . . 0.0 111.938 -177.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.449 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 23.4 mtmm -68.92 -27.09 65.45 Favored 'General case' 0 C--N 1.296 -1.749 0 O-C-N 120.954 -1.091 . . . . 0.0 109.558 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.497 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 15.6 p-10 -140.4 87.82 2.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.041 -1.037 . . . . 0.0 108.268 177.115 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -50.48 -24.99 3.52 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 108.349 -0.982 . . . . 0.0 108.349 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.5 m-20 -60.01 -40.03 87.85 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.468 ' N ' ' O ' ' B' ' 50' ' ' ASP . . . -60.05 -40.41 89.33 Favored 'General case' 0 C--N 1.304 -1.393 0 C-N-CA 118.777 -1.169 . . . . 0.0 108.352 -178.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -61.52 -33.91 59.21 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 121.135 -0.978 . . . . 0.0 109.499 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 58.1 t0 -70.05 -39.96 75.37 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.738 -1.226 . . . . 0.0 110.891 -177.246 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 25.5 mtpp -69.95 -40.1 75.64 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.187 -0.946 . . . . 0.0 109.956 -179.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.59 HD11 ' ND2' ' Y' ' 8' ' ' ASN . 57.2 mt -66.84 -56.62 13.21 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.786 0 CA-C-O 121.653 0.74 . . . . 0.0 110.224 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.406 ' SD ' ' CG ' ' B' ' 30' ' ' LYS . 4.3 ttt -59.96 -34.01 72.7 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.663 -0.648 . . . . 0.0 109.916 -179.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -60.02 -41.27 91.82 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -67.83 -24.09 65.24 Favored 'General case' 0 N--CA 1.488 1.456 0 N-CA-C 108.597 -0.89 . . . . 0.0 108.597 179.501 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.542 HD22 ' O ' ' B' ' 73' ' ' GLU . 23.9 mt -88.45 -30.76 19.19 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.505 -0.747 . . . . 0.0 109.117 178.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -73.54 47.55 0.24 Allowed 'General case' 0 C--N 1.298 -1.64 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.46 ' H ' ' C ' ' B' ' 61' ' ' LEU . 94.5 mt-10 -59.97 -40.68 89.92 Favored 'General case' 0 N--CA 1.487 1.396 0 C-N-CA 119.611 -0.835 . . . . 0.0 108.884 -178.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -74.19 -24.71 59.4 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 106.619 -1.623 . . . . 0.0 106.619 178.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 79.96 39.07 17.57 Favored Glycine 0 N--CA 1.485 1.927 0 N-CA-C 107.866 -2.094 . . . . 0.0 107.866 -179.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.441 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 38.4 p-10 -96.02 -10.77 27.69 Favored 'General case' 0 N--CA 1.51 2.544 0 O-C-N 121.472 -1.017 . . . . 0.0 112.083 -177.127 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 86.6 -1.74 87.21 Favored Glycine 0 N--CA 1.505 3.273 0 O-C-N 120.87 -1.144 . . . . 0.0 111.231 179.705 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.441 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 24.1 mp0 -142.13 173.63 11.35 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 120.476 -1.603 . . . . 0.0 108.299 179.406 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.704 HG21 HD11 ' B' ' 33' ' ' LEU . 2.5 t -125.96 130.01 72.32 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.582 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 -178.696 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.581 ' O ' ' HB2' ' B' ' 71' ' ' PHE . 33.9 p-10 -105.69 -13.89 15.43 Favored 'General case' 0 N--CA 1.508 2.427 0 O-C-N 120.823 -1.173 . . . . 0.0 112.749 -177.001 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.589 ' O ' ' N ' ' B' ' 73' ' ' GLU . 0.1 OUTLIER 153.15 -86.77 0.0 OUTLIER 'General case' 0 N--CA 1.518 2.946 0 CA-C-N 118.83 0.741 . . . . 0.0 110.915 176.819 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.574 ' O ' HG23 ' B' ' 76' ' ' VAL . 57.0 tt0 -37.23 -24.49 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.436 -0.79 . . . . 0.0 110.482 -177.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.589 ' N ' ' O ' ' B' ' 71' ' ' PHE . 97.0 mt-10 -82.71 -49.17 10.05 Favored 'General case' 0 C--N 1.293 -1.887 0 N-CA-C 108.211 -1.033 . . . . 0.0 108.211 177.641 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.559 ' N ' ' O ' ' B' ' 71' ' ' PHE . 72.5 t80 -62.85 -50.02 72.58 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.653 -0.654 . . . . 0.0 112.059 -179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.675 ' HB ' ' HB1' ' A' ' 79' ' ' ALA . 0.0 OUTLIER -57.84 -35.75 52.68 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 121.014 -1.054 . . . . 0.0 109.142 -179.054 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.574 HG23 ' O ' ' B' ' 72' ' ' GLN . 44.9 t -60.02 -39.91 81.64 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 C-N-CA 119.318 -0.953 . . . . 0.0 109.441 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.695 HD13 ' C ' ' B' ' 77' ' ' LEU . 3.3 tm? -66.08 -52.37 49.51 Favored 'General case' 0 N--CA 1.506 2.34 0 O-C-N 121.152 -0.967 . . . . 0.0 112.015 -178.735 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.468 ' H ' HG23 ' B' ' 78' ' ' VAL . 1.4 t -60.06 -39.09 79.38 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.879 0 O-C-N 120.834 -1.166 . . . . 0.0 108.904 -178.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.669 ' HB1' ' HB ' ' A' ' 75' ' ' VAL . . . -60.04 -47.74 84.59 Favored 'General case' 0 C--N 1.286 -2.176 0 CA-C-O 122.398 1.094 . . . . 0.0 111.042 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -73.11 -24.66 60.66 Favored 'General case' 0 C--N 1.29 -1.998 0 N-CA-C 113.781 1.03 . . . . 0.0 113.781 -175.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.17 -48.77 11.66 Favored 'General case' 0 N--CA 1.508 2.447 0 O-C-N 119.592 -1.942 . . . . 0.0 109.993 -179.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.452 HG23 ' N ' ' B' ' 83' ' ' VAL . 2.8 t -49.63 -47.2 49.94 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 121.149 -0.97 . . . . 0.0 110.39 178.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.494 HG11 HG21 ' A' ' 75' ' ' VAL . 24.9 m -60.04 -41.17 85.38 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.059 -1.026 . . . . 0.0 110.129 178.146 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.458 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -62.54 -23.89 67.22 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.53 -0.732 . . . . 0.0 109.41 -179.499 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.6 t -73.44 -48.14 36.0 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.391 -0.818 . . . . 0.0 110.331 -178.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.65 -41.77 97.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.102 -0.999 . . . . 0.0 109.819 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' B' ' 87' ' ' ASN . 48.9 t-20 -62.12 -39.95 94.27 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.365 -0.834 . . . . 0.0 110.361 -179.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.436 ' O ' ' CD2' ' B' ' 88' ' ' PHE . 65.1 t80 -82.49 -11.17 58.66 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.32 -0.862 . . . . 0.0 109.979 -178.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -79.73 -34.64 39.81 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.257 -0.902 . . . . 0.0 108.686 179.015 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 72.4 t-105 -77.03 -21.51 54.45 Favored 'General case' 0 C--N 1.305 -1.367 0 O-C-N 121.624 -0.673 . . . . 0.0 110.572 -178.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.775 -1.203 . . . . 0.0 109.107 179.674 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.7 t-20 -83.77 -1.85 55.09 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.375 -0.828 . . . . 0.0 108.983 179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 31.9 t . . . . . 0 N--CA 1.49 1.552 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.407 -179.835 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' X' X ' 1' ' ' THR . . . . . 0.495 ' OG1' ' N ' ' X' ' 2' ' ' ARG . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 2' ' ' ARG . . . . . 0.495 ' N ' ' OG1' ' X' ' 1' ' ' THR . 7.8 tpp85 -100.03 130.01 46.14 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 121.154 -0.966 . . . . 0.0 109.421 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 3' ' ' THR . . . . . . . . . . . . . 31.7 m -84.66 121.6 27.89 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.135 -0.978 . . . . 0.0 109.199 179.789 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 4' ' ' LYS . . . . . 0.441 ' N ' ' CD ' ' X' ' 4' ' ' LYS . 0.7 OUTLIER -64.52 -51.96 60.24 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.216 -0.927 . . . . 0.0 109.639 -179.641 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' X' X ' 5' ' ' ILE . . . . . . . . . . . . . 5.1 pt -143.66 131.52 18.4 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.864 0 O-C-N 121.474 -0.766 . . . . 0.0 108.977 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 6' ' ' ASP . . . . . . . . . . . . . 28.7 t0 -124.66 9.31 8.31 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 121.88 0.848 . . . . 0.0 109.436 -179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 7' ' ' TRP . . . . . 0.723 ' O ' HG22 ' X' ' 10' ' ' ILE . 4.8 p-90 -60.03 -48.56 81.2 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.207 -0.933 . . . . 0.0 110.291 -179.36 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 8' ' ' ASN . . . . . 0.62 ' N ' ' CG ' ' X' ' 7' ' ' TRP . 3.7 p30 -46.31 -39.76 10.66 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 120.423 -1.423 . . . . 0.0 109.967 -179.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 9' ' ' LYS . . . . . . . . . . . . . 29.8 ttpt -59.18 -24.06 62.77 Favored 'General case' 0 C--N 1.295 -1.774 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' X' X ' 10' ' ' ILE . . . . . 0.723 HG22 ' O ' ' X' ' 7' ' ' TRP . 7.1 tt -49.73 -36.22 10.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 177.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 11' ' ' LEU . . . . . 0.681 ' C ' HD23 ' X' ' 11' ' ' LEU . 7.5 tt -67.95 -43.28 79.42 Favored 'General case' 0 C--N 1.302 -1.463 0 N-CA-C 108.528 -0.916 . . . . 0.0 108.528 178.699 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' X' X ' 12' ' ' SER . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 118.117 -0.944 . . . . 0.0 109.5 179.69 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' Y' Y ' 1' ' ' THR . . . . . 0.482 HG23 ' O ' ' Y' ' 3' ' ' THR . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 121.313 0.578 . . . . 0.0 109.518 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 2' ' ' ARG . . . . . 0.446 ' N ' ' OG1' ' Y' ' 1' ' ' THR . 36.9 ptt180 -77.49 -10.09 59.28 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.379 -0.826 . . . . 0.0 109.695 -179.849 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 3' ' ' THR . . . . . 0.482 ' O ' HG23 ' Y' ' 1' ' ' THR . 10.1 t -134.39 141.56 46.89 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 121.357 -0.839 . . . . 0.0 109.342 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 4' ' ' LYS . . . . . . . . . . . . . 97.2 mttt -120.04 -41.03 2.67 Favored 'General case' 0 N--CA 1.5 2.026 0 O-C-N 121.572 -0.705 . . . . 0.0 109.798 -179.703 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 5' ' ' ILE . . . . . 0.407 HG21 HD13 ' Y' ' 5' ' ' ILE . 12.1 pt -132.2 132.33 60.89 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.988 0 N-CA-C 108.552 -0.906 . . . . 0.0 108.552 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 6' ' ' ASP . . . . . . . . . . . . . 39.9 p-10 -128.42 12.43 6.46 Favored 'General case' 0 N--CA 1.501 2.077 0 O-C-N 121.209 -0.932 . . . . 0.0 109.3 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' Y' Y ' 7' ' ' TRP . . . . . 0.708 ' O ' HG22 ' Y' ' 10' ' ' ILE . 5.3 p-90 -60.05 -47.33 86.29 Favored 'General case' 0 C--N 1.303 -1.429 0 CA-C-O 122.024 0.916 . . . . 0.0 109.207 -179.798 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 8' ' ' ASN . . . . . 0.596 ' N ' ' CG ' ' Y' ' 7' ' ' TRP . 3.5 p30 -48.26 -38.29 18.34 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 120.391 -1.443 . . . . 0.0 109.339 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 9' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' Y' ' 12' ' ' SER . 25.1 ttpt -59.84 -23.27 63.24 Favored 'General case' 0 C--N 1.295 -1.773 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 179.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 10' ' ' ILE . . . . . 0.708 HG22 ' O ' ' Y' ' 7' ' ' TRP . 8.2 tt -49.96 -34.54 10.05 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 N-CA-C 106.411 -1.7 . . . . 0.0 106.411 177.31 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' Y' Y ' 11' ' ' LEU . . . . . 0.448 HD21 ' O ' ' B' ' 80' ' ' ALA . 0.0 OUTLIER -69.95 -40.01 75.72 Favored 'General case' 0 C--N 1.298 -1.644 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.518 179.378 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' Y' Y ' 12' ' ' SER . . . . . 0.424 ' N ' ' O ' ' Y' ' 9' ' ' LYS . 36.0 m . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.465 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.517 2.567 . . . . 0.0 119.517 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.0 m -89.87 20.44 4.16 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.866 -1.373 . . . . 0.0 109.788 -179.449 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 32.8 mp0 -59.96 -40.06 87.72 Favored 'General case' 0 N--CA 1.488 1.427 0 O-C-N 121.162 -0.961 . . . . 0.0 110.278 -179.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.94 -43.69 98.31 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.452 -1.405 . . . . 0.0 109.152 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.0 tt0 -60.02 -36.92 78.27 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.114 -0.991 . . . . 0.0 108.815 179.421 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.506 ' O ' ' OG1' ' A' ' 10' ' ' THR . 19.1 m -55.67 -50.24 70.77 Favored 'General case' 0 C--N 1.302 -1.461 0 CA-C-O 121.652 0.739 . . . . 0.0 110.416 -179.597 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.33 -31.82 73.17 Favored 'General case' 0 N--CA 1.495 1.795 0 N-CA-C 112.723 0.638 . . . . 0.0 112.723 -178.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.0 -47.42 62.24 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.621 -1.299 . . . . 0.0 110.154 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.03 -25.05 63.38 Favored 'General case' 0 C--N 1.296 -1.755 0 O-C-N 121.746 -0.597 . . . . 0.0 110.51 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 6' ' ' THR . 0.0 OUTLIER -68.73 -57.78 5.16 Favored 'General case' 0 C--N 1.295 -1.777 0 O-C-N 121.328 -0.857 . . . . 0.0 109.952 -178.61 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.589 ' O ' ' CG ' ' A' ' 15' ' ' PHE . 8.2 mp -52.81 -39.97 62.86 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 120.119 -1.613 . . . . 0.0 109.025 -179.765 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 81.5 mt -66.18 -40.03 85.93 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.985 0 O-C-N 120.891 -1.131 . . . . 0.0 112.284 -179.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -81.99 -48.65 11.19 Favored 'General case' 0 N--CA 1.511 2.588 0 O-C-N 119.944 -1.723 . . . . 0.0 113.528 -177.442 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -38.51 76.97 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 120.415 -1.428 . . . . 0.0 108.089 -178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.758 ' CD1' HD21 ' A' ' 36' ' ' LEU . 15.5 m-30 -60.0 -37.67 80.38 Favored 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 108.173 -1.047 . . . . 0.0 108.173 178.203 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.4 -32.67 74.2 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.639 -1.288 . . . . 0.0 110.177 179.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.82 -55.4 35.65 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.168 -0.958 . . . . 0.0 112.578 -178.233 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.52 ' CE1' ' OE1' ' A' ' 22' ' ' GLU . 36.9 t-80 -81.87 -32.93 30.82 Favored 'General case' 0 N--CA 1.504 2.253 0 O-C-N 121.062 -1.024 . . . . 0.0 111.05 -178.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.498 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 71.0 m -59.95 -34.32 73.11 Favored 'General case' 0 C--N 1.289 -2.029 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 -177.103 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.45 15.75 14.86 Favored Glycine 0 N--CA 1.514 3.844 0 CA-C-N 120.431 1.468 . . . . 0.0 112.404 -178.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.37 11.53 7.47 Favored 'General case' 0 N--CA 1.511 2.591 0 CA-C-N 119.099 1.45 . . . . 0.0 109.219 179.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.52 ' OE1' ' CE1' ' A' ' 18' ' ' HIS . 67.5 tt0 -161.48 27.86 0.13 Allowed 'General case' 0 C--N 1.295 -1.804 0 N-CA-C 107.55 -1.278 . . . . 0.0 107.55 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.31 26.86 Favored Glycine 0 N--CA 1.481 1.668 0 C-N-CA 118.919 -1.61 . . . . 0.0 111.465 -179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.535 ' OD2' ' NZ ' ' A' ' 27' ' ' LYS . 53.0 t0 -58.14 144.17 41.36 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.88 -0.777 . . . . 0.0 109.125 -179.887 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 63.0 tttp -55.07 -50.02 70.18 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.24 -0.913 . . . . 0.0 112.465 -177.092 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 53.3 p90 -118.66 24.02 11.13 Favored 'General case' 0 N--CA 1.508 2.469 0 O-C-N 120.619 -1.301 . . . . 0.0 111.485 -178.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.535 ' NZ ' ' OD2' ' A' ' 24' ' ' ASP . 2.9 mtpm? -133.81 142.71 47.98 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.876 -1.14 . . . . 0.0 109.681 179.305 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.498 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 1.9 tp -92.34 108.62 20.1 Favored 'General case' 0 N--CA 1.492 1.656 0 N-CA-C 108.719 -0.845 . . . . 0.0 108.719 -178.809 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.497 ' N ' ' OE1' ' A' ' 32' ' ' GLU . 14.5 m -72.71 158.27 35.93 Favored 'General case' 0 C--N 1.29 -2.02 0 O-C-N 119.982 -1.699 . . . . 0.0 108.703 178.237 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 29' ' ' SER . 17.5 tptm -42.52 -33.16 0.64 Allowed 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 119.803 -0.759 . . . . 0.0 110.163 179.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 pttt -84.14 -25.52 29.59 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 120.281 -1.512 . . . . 0.0 109.911 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.497 ' OE1' ' N ' ' A' ' 29' ' ' SER . 51.0 mt-10 -69.99 -40.54 75.27 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.651 -1.281 . . . . 0.0 109.856 -179.755 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.497 HD12 ' N ' ' A' ' 34' ' ' LYS . 3.8 pp -65.73 -40.21 91.93 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 120.923 -1.11 . . . . 0.0 109.267 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.497 ' N ' HD12 ' A' ' 33' ' ' LEU . 73.8 tttt -64.35 -43.4 94.67 Favored 'General case' 0 N--CA 1.499 2.014 0 N-CA-C 113.314 0.857 . . . . 0.0 113.314 -176.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -74.12 -37.69 64.02 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 120.987 -1.071 . . . . 0.0 110.839 -178.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' A' ' 15' ' ' PHE . 51.4 tp -60.0 -50.0 75.45 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.299 -0.875 . . . . 0.0 109.451 -179.677 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 96.4 mt -72.0 -40.04 68.79 Favored 'General case' 0 N--CA 1.496 1.852 0 CA-C-O 121.864 0.84 . . . . 0.0 112.249 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.647 HE22 HE21 ' A' ' 48' ' ' GLN . 5.3 tt0 -70.01 -42.12 73.43 Favored 'General case' 0 N--CA 1.496 1.841 0 CA-C-O 121.783 0.801 . . . . 0.0 112.205 -177.188 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.0 m -60.03 -47.36 86.18 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.638 -0.664 . . . . 0.0 112.137 -175.415 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.443 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 33.7 mm-40 -99.98 -20.04 16.28 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.754 -1.216 . . . . 0.0 112.141 -176.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 73.2 mt -128.03 48.76 2.23 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.981 -1.074 . . . . 0.0 109.307 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.533 ' O ' ' NZ ' ' A' ' 49' ' ' LYS . 14.5 t -61.16 -40.9 95.6 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.521 -0.737 . . . . 0.0 110.505 -179.827 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 19.3 m -79.13 -41.23 29.05 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.237 -0.914 . . . . 0.0 112.249 -177.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.727 ' O ' ' O ' ' A' ' 45' ' ' LEU . 38.6 t80 -82.34 -105.48 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.527 -1.358 . . . . 0.0 110.733 -178.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.727 ' O ' ' O ' ' A' ' 44' ' ' PHE . 0.2 OUTLIER -9.49 147.81 0.0 OUTLIER 'General case' 0 N--CA 1.524 3.263 0 CA-C-O 117.424 -1.274 . . . . 0.0 110.301 177.552 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.549 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 21.0 p-10 -91.31 124.85 35.82 Favored 'General case' 0 N--CA 1.502 2.157 0 CA-C-N 124.706 3.412 . . . . 0.0 110.552 175.291 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 59.5 t -154.68 -90.72 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 120.799 -1.188 . . . . 0.0 110.204 177.644 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.647 HE21 HE22 ' A' ' 38' ' ' GLN . 79.1 mm-40 -60.6 -44.41 96.31 Favored 'General case' 0 N--CA 1.488 1.446 0 O-C-N 121.348 -0.845 . . . . 0.0 112.035 -178.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.608 ' HZ3' ' H ' ' A' ' 49' ' ' LYS . 11.0 mtmm -58.63 -17.58 23.31 Favored 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 108.246 -1.02 . . . . 0.0 108.246 -178.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 57.7 t0 -152.47 90.36 1.49 Allowed 'General case' 0 C--N 1.294 -1.84 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.04 -38.28 82.29 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 121.278 -0.889 . . . . 0.0 109.372 -179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.99 -38.9 73.7 Favored 'General case' 0 C--N 1.3 -1.585 0 N-CA-C 107.814 -1.18 . . . . 0.0 107.814 177.553 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' HB1' ' OD2' ' A' ' 46' ' ' ASP . . . -59.99 -40.07 87.93 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.304 -0.958 . . . . 0.0 110.756 -177.537 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -60.43 -36.8 71.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.89 0 O-C-N 120.403 -1.436 . . . . 0.0 108.794 179.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.13 -39.92 90.25 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.599 -0.688 . . . . 0.0 110.669 -178.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 42.8 mmtm -64.86 -39.89 94.28 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.174 -0.954 . . . . 0.0 109.962 -178.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.416 HD11 ' OD2' ' A' ' 46' ' ' ASP . 22.7 mt -69.46 -52.79 29.25 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.666 0 O-C-N 121.642 -0.661 . . . . 0.0 111.255 -179.544 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.497 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -61.24 -35.62 77.75 Favored 'General case' 0 C--N 1.298 -1.66 0 O-C-N 121.418 -0.801 . . . . 0.0 110.213 -179.077 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.4 ttpt -59.95 -47.36 86.12 Favored 'General case' 0 C--N 1.294 -1.824 0 N-CA-C 107.69 -1.226 . . . . 0.0 107.69 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 67.5 mm-40 -58.49 -22.38 54.8 Favored 'General case' 0 C--N 1.301 -1.541 0 N-CA-C 107.705 -1.22 . . . . 0.0 107.705 179.121 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 63' ' ' GLU . 34.1 mt -94.75 -25.43 16.68 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.61 -0.681 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.497 ' OD2' ' SD ' ' A' ' 58' ' ' MET . 80.1 m-20 -73.2 47.45 0.21 Allowed 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 106.982 -1.488 . . . . 0.0 106.982 178.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 75.8 mm-40 -60.0 -40.78 90.38 Favored 'General case' 0 C--N 1.302 -1.468 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.423 -178.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 47.5 t30 -77.65 -21.77 51.68 Favored 'General case' 0 C--N 1.299 -1.605 0 N-CA-C 106.935 -1.506 . . . . 0.0 106.935 178.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.93 38.89 25.71 Favored Glycine 0 N--CA 1.484 1.883 0 N-CA-C 107.408 -2.277 . . . . 0.0 107.408 -178.591 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.45 ' O ' ' OE1' ' A' ' 68' ' ' GLU . 37.2 p-10 -94.48 -11.13 30.28 Favored 'General case' 0 N--CA 1.507 2.412 0 O-C-N 121.454 -1.027 . . . . 0.0 111.756 -177.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.68 1.9 76.61 Favored Glycine 0 N--CA 1.504 3.214 0 O-C-N 120.941 -1.099 . . . . 0.0 110.795 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.45 ' OE1' ' O ' ' A' ' 66' ' ' ASP . 36.8 mp0 -140.69 172.88 12.09 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.469 -1.607 . . . . 0.0 108.581 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.437 ' CG1' HD13 ' A' ' 61' ' ' LEU . 11.0 t -111.99 129.43 67.46 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.515 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.526 ' O ' ' N ' ' A' ' 73' ' ' GLU . 96.0 m-20 -95.61 150.88 19.86 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.197 -0.939 . . . . 0.0 108.524 179.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.521 ' CE1' ' CG2' ' A' ' 75' ' ' VAL . 29.4 t80 -45.15 -32.41 1.81 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.134 -0.979 . . . . 0.0 110.432 -178.715 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.552 ' NE2' HD21 ' B' ' 87' ' ' ASN . 62.1 mt-30 -72.85 -25.62 61.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.648 -1.282 . . . . 0.0 108.704 179.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.526 ' N ' ' O ' ' A' ' 70' ' ' ASP . 85.0 mt-10 -84.59 -40.0 18.05 Favored 'General case' 0 C--N 1.303 -1.443 0 CA-C-O 121.679 0.752 . . . . 0.0 110.293 179.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.6 ' CZ ' HD23 ' A' ' 36' ' ' LEU . 20.6 t80 -69.07 -46.84 66.81 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.602 -0.686 . . . . 0.0 111.188 -177.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.713 HG12 ' HB1' ' B' ' 79' ' ' ALA . 54.4 t -60.03 -39.84 81.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.194 -0.941 . . . . 0.0 109.218 -179.243 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 72' ' ' GLN . 54.9 t -58.03 -37.28 60.53 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 C-N-CA 118.854 -1.138 . . . . 0.0 108.863 178.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.821 HD11 HD12 ' A' ' 81' ' ' LEU . 3.4 tm? -69.78 -55.7 9.14 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 121.205 -0.935 . . . . 0.0 112.994 -177.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.423 ' O ' HG22 ' A' ' 82' ' ' THR . 33.3 m -55.88 -34.57 37.71 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.333 0 O-C-N 120.313 -1.492 . . . . 0.0 109.587 -178.645 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.728 ' HB1' HG12 ' B' ' 75' ' ' VAL . . . -68.25 -38.4 81.77 Favored 'General case' 0 C--N 1.29 -2.003 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 178.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.414 ' O ' ' CG2' ' A' ' 83' ' ' VAL . . . -77.67 -25.05 49.24 Favored 'General case' 0 C--N 1.301 -1.531 0 N-CA-C 113.567 0.951 . . . . 0.0 113.567 -176.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.821 HD12 HD11 ' A' ' 77' ' ' LEU . 25.0 mt -85.99 -41.35 14.94 Favored 'General case' 0 N--CA 1.508 2.45 0 O-C-N 119.747 -1.846 . . . . 0.0 109.765 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.486 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.0 t -56.54 -43.08 79.52 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.526 -1.359 . . . . 0.0 109.582 178.1 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.486 ' N ' HG23 ' A' ' 82' ' ' THR . 16.0 m -60.04 -40.07 82.16 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.082 -1.011 . . . . 0.0 109.349 177.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.465 ' HB3' ' CZ3' ' X' ' 7' ' ' TRP . . . -61.06 -26.97 68.01 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 15.3 t -70.02 -39.91 75.53 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.571 -0.706 . . . . 0.0 109.726 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.9 t-20 -60.12 -40.97 91.56 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.055 -1.028 . . . . 0.0 109.061 179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.583 HD21 ' NE2' ' B' ' 72' ' ' GLN . 26.6 m120 -61.51 -39.95 92.83 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.399 -0.813 . . . . 0.0 109.5 179.178 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.498 ' CE1' HD12 ' X' ' 10' ' ' ILE . 3.0 m-85 -88.18 -0.34 56.97 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.391 -0.818 . . . . 0.0 109.879 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -84.62 -36.45 21.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.928 -1.108 . . . . 0.0 109.28 179.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -90.45 -2.19 57.93 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.399 -0.813 . . . . 0.0 111.207 -178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.6 pt-20 -60.0 -40.01 87.74 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.345 -1.472 . . . . 0.0 109.259 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -91.69 65.3 5.04 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.186 -0.946 . . . . 0.0 108.67 179.184 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 64.2 p . . . . . 0 N--CA 1.488 1.461 0 CA-C-O 117.936 -1.031 . . . . 0.0 109.709 -179.572 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.443 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.868 0 N-CA-C 119.54 2.576 . . . . 0.0 119.54 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 61.9 m -89.93 20.95 3.87 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.745 -1.444 . . . . 0.0 109.79 -179.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 33.2 mp0 -59.98 -40.03 87.74 Favored 'General case' 0 C--N 1.304 -1.407 0 O-C-N 121.067 -1.02 . . . . 0.0 110.202 -179.367 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 9.6 mt -61.81 -43.82 98.09 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 120.313 -1.492 . . . . 0.0 109.174 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.9 tt0 -59.99 -36.88 78.13 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.087 -1.008 . . . . 0.0 108.768 179.479 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.499 ' O ' ' OG1' ' B' ' 10' ' ' THR . 18.9 m -55.75 -50.06 71.43 Favored 'General case' 0 C--N 1.301 -1.505 0 CA-C-O 121.653 0.74 . . . . 0.0 110.426 -179.613 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.99 -31.04 72.08 Favored 'General case' 0 N--CA 1.494 1.726 0 N-CA-C 112.829 0.678 . . . . 0.0 112.829 -177.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -70.3 -47.29 61.83 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 120.641 -1.287 . . . . 0.0 110.086 -178.574 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -70.0 -25.24 63.51 Favored 'General case' 0 C--N 1.295 -1.781 0 O-C-N 121.719 -0.613 . . . . 0.0 110.495 -177.119 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.499 ' OG1' ' O ' ' B' ' 6' ' ' THR . 0.0 OUTLIER -68.65 -57.76 5.23 Favored 'General case' 0 C--N 1.295 -1.784 0 O-C-N 121.362 -0.836 . . . . 0.0 109.967 -178.589 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.593 ' O ' ' CG ' ' B' ' 15' ' ' PHE . 8.1 mp -52.83 -40.05 63.0 Favored 'General case' 0 C--N 1.298 -1.645 0 O-C-N 120.166 -1.584 . . . . 0.0 109.003 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 81.7 mt -66.1 -39.98 85.91 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.005 0 O-C-N 120.956 -1.09 . . . . 0.0 112.284 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -82.21 -48.59 11.09 Favored 'General case' 0 N--CA 1.511 2.604 0 O-C-N 119.987 -1.696 . . . . 0.0 113.54 -177.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -60.02 -38.4 76.57 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.458 0 O-C-N 120.475 -1.391 . . . . 0.0 108.04 -178.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.758 ' CD1' HD21 ' B' ' 36' ' ' LEU . 15.5 m-30 -59.98 -37.52 79.87 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 108.274 -1.01 . . . . 0.0 108.274 178.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -66.62 -32.72 74.22 Favored 'General case' 0 N--CA 1.501 2.092 0 O-C-N 120.712 -1.243 . . . . 0.0 110.186 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.88 -55.3 36.86 Favored 'General case' 0 N--CA 1.5 2.049 0 O-C-N 121.063 -1.023 . . . . 0.0 112.599 -178.218 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.516 ' CE1' ' OE1' ' B' ' 22' ' ' GLU . 36.3 t-80 -81.72 -33.03 31.32 Favored 'General case' 0 N--CA 1.504 2.268 0 O-C-N 121.038 -1.039 . . . . 0.0 111.139 -178.584 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.497 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 67.2 m -59.8 -34.39 72.98 Favored 'General case' 0 C--N 1.289 -2.043 0 N-CA-C 113.905 1.076 . . . . 0.0 113.905 -177.171 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.73 15.93 14.07 Favored Glycine 0 N--CA 1.514 3.851 0 O-C-N 120.364 -1.46 . . . . 0.0 112.393 -178.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -126.16 11.11 7.56 Favored 'General case' 0 N--CA 1.511 2.577 0 CA-C-N 119.053 1.427 . . . . 0.0 109.245 179.473 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.516 ' OE1' ' CE1' ' B' ' 18' ' ' HIS . 67.2 tt0 -161.21 27.9 0.14 Allowed 'General case' 0 C--N 1.294 -1.839 0 N-CA-C 107.632 -1.247 . . . . 0.0 107.632 179.245 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.42 -157.15 26.57 Favored Glycine 0 N--CA 1.482 1.748 0 C-N-CA 118.879 -1.629 . . . . 0.0 111.451 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.546 ' OD2' ' NZ ' ' B' ' 27' ' ' LYS . 52.8 t0 -58.16 144.21 41.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.895 -0.768 . . . . 0.0 109.198 -179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.53 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 63.5 tttp -55.19 -49.92 70.68 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.236 -0.915 . . . . 0.0 112.516 -177.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 53.6 p90 -118.5 23.79 11.3 Favored 'General case' 0 N--CA 1.508 2.449 0 O-C-N 120.539 -1.351 . . . . 0.0 111.516 -178.236 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.546 ' NZ ' ' OD2' ' B' ' 24' ' ' ASP . 2.9 mtpm? -133.71 142.55 48.04 Favored 'General case' 0 N--CA 1.505 2.285 0 O-C-N 120.871 -1.143 . . . . 0.0 109.678 179.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.497 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 1.9 tp -91.9 108.75 20.15 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 -178.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.459 ' O ' ' N ' ' B' ' 32' ' ' GLU . 13.9 m -72.88 158.36 35.67 Favored 'General case' 0 C--N 1.29 -1.988 0 O-C-N 119.934 -1.729 . . . . 0.0 108.671 178.285 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.402 ' C ' ' O ' ' B' ' 29' ' ' SER . 17.3 tptm -42.42 -33.21 0.63 Allowed 'General case' 0 N--CA 1.502 2.133 0 O-C-N 121.438 -0.789 . . . . 0.0 110.137 179.287 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -84.18 -25.63 29.41 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.357 -1.464 . . . . 0.0 109.982 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' B' ' 29' ' ' SER . 51.1 mt-10 -69.99 -40.41 75.33 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.717 -1.24 . . . . 0.0 109.811 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.428 HD12 ' N ' ' B' ' 34' ' ' LYS . 3.6 pp -65.44 -40.34 93.15 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.834 -1.166 . . . . 0.0 109.283 178.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.428 ' N ' HD12 ' B' ' 33' ' ' LEU . 74.4 tttt -64.41 -43.38 94.57 Favored 'General case' 0 N--CA 1.498 1.974 0 N-CA-C 113.206 0.817 . . . . 0.0 113.206 -176.507 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.4 m-20 -73.91 -37.97 64.48 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.154 -0.966 . . . . 0.0 110.782 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.758 HD21 ' CD1' ' B' ' 15' ' ' PHE . 49.8 tp -59.9 -50.02 75.4 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.331 -0.856 . . . . 0.0 109.475 -179.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 96.1 mt -72.03 -40.03 68.71 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-O 121.923 0.868 . . . . 0.0 112.211 -179.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.649 HE22 HE21 ' B' ' 48' ' ' GLN . 5.2 tt0 -70.07 -42.04 73.33 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-O 121.76 0.791 . . . . 0.0 112.26 -177.197 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 44.7 m -59.99 -47.48 85.63 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.679 -0.638 . . . . 0.0 112.128 -175.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 33.7 mm-40 -99.85 -19.98 16.4 Favored 'General case' 0 N--CA 1.503 2.217 0 O-C-N 120.785 -1.197 . . . . 0.0 112.074 -176.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 69.3 mt -128.15 48.69 2.25 Favored 'General case' 0 N--CA 1.503 2.216 0 O-C-N 120.979 -1.076 . . . . 0.0 109.321 -179.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.524 ' O ' ' NZ ' ' B' ' 49' ' ' LYS . 15.1 t -61.06 -41.03 95.84 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.6 -0.687 . . . . 0.0 110.5 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 20.8 m -79.0 -40.83 30.47 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.213 -0.929 . . . . 0.0 112.266 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.528 ' O ' ' O ' ' B' ' 45' ' ' LEU . 38.3 t80 -83.55 -92.41 0.07 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 120.557 -1.339 . . . . 0.0 112.134 -178.091 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.639 HD11 HD13 ' B' ' 81' ' ' LEU . 0.1 OUTLIER -32.47 153.71 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.782 0 N-CA-C 108.89 -0.781 . . . . 0.0 108.89 -174.856 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.474 ' N ' ' OD1' ' B' ' 46' ' ' ASP . 20.6 p-10 -90.52 123.88 34.56 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 118.502 -2.624 . . . . 0.0 110.241 178.852 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 66.5 t -154.68 -90.26 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 120.969 -1.082 . . . . 0.0 109.984 177.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.649 HE21 HE22 ' B' ' 38' ' ' GLN . 79.5 mm-40 -60.61 -44.6 96.11 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.32 -0.862 . . . . 0.0 112.021 -178.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.524 ' NZ ' ' O ' ' B' ' 42' ' ' SER . 10.3 mtmm -58.72 -17.66 24.76 Favored 'General case' 0 C--N 1.296 -1.74 0 N-CA-C 108.306 -0.998 . . . . 0.0 108.306 -178.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -152.2 90.47 1.52 Allowed 'General case' 0 C--N 1.295 -1.786 0 N-CA-C 108.202 -1.036 . . . . 0.0 108.202 178.59 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.07 -38.43 82.85 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.317 -0.864 . . . . 0.0 109.299 -179.136 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -56.89 -38.63 73.06 Favored 'General case' 0 C--N 1.301 -1.528 0 N-CA-C 107.857 -1.164 . . . . 0.0 107.857 177.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.01 -41.06 91.32 Favored 'General case' 0 C--N 1.296 -1.718 0 C-N-CA 119.075 -1.05 . . . . 0.0 110.506 -177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -59.91 -36.57 67.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.851 0 O-C-N 120.456 -1.403 . . . . 0.0 108.769 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -66.16 -40.03 90.24 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.497 -0.752 . . . . 0.0 110.711 -178.207 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 43.2 mmtm -64.56 -40.04 94.84 Favored 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.159 -0.963 . . . . 0.0 109.881 -178.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.418 HD11 ' OD2' ' B' ' 46' ' ' ASP . 23.6 mt -69.35 -52.68 30.56 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.724 0 O-C-N 121.662 -0.649 . . . . 0.0 111.386 -179.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.494 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -61.33 -35.68 78.07 Favored 'General case' 0 C--N 1.298 -1.638 0 O-C-N 121.371 -0.831 . . . . 0.0 110.225 -179.088 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 ttpt -59.97 -47.5 85.54 Favored 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 107.738 -1.208 . . . . 0.0 107.738 -179.732 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 68.0 mm-40 -58.71 -20.73 51.41 Favored 'General case' 0 C--N 1.3 -1.548 0 N-CA-C 107.998 -1.112 . . . . 0.0 107.998 178.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.51 ' C ' ' H ' ' B' ' 63' ' ' GLU . 34.4 mt -96.17 -25.7 15.74 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 121.619 -0.675 . . . . 0.0 110.891 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.494 ' OD2' ' SD ' ' B' ' 58' ' ' MET . 80.9 m-20 -73.18 47.41 0.2 Allowed 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.037 -1.468 . . . . 0.0 107.037 179.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.51 ' H ' ' C ' ' B' ' 61' ' ' LEU . 75.8 mm-40 -59.99 -40.62 89.76 Favored 'General case' 0 C--N 1.303 -1.447 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.463 -178.421 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 47.4 t30 -77.76 -21.64 51.46 Favored 'General case' 0 C--N 1.299 -1.604 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 178.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . . . . . . . . . . . 77.95 38.71 26.08 Favored Glycine 0 N--CA 1.484 1.862 0 N-CA-C 107.426 -2.27 . . . . 0.0 107.426 -178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.444 ' O ' ' OE1' ' B' ' 68' ' ' GLU . 36.8 p-10 -94.39 -11.32 30.13 Favored 'General case' 0 N--CA 1.508 2.436 0 O-C-N 121.449 -1.03 . . . . 0.0 111.819 -177.133 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 89.86 1.78 76.21 Favored Glycine 0 N--CA 1.503 3.116 0 O-C-N 120.862 -1.149 . . . . 0.0 110.774 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.444 ' OE1' ' O ' ' B' ' 66' ' ' ASP . 37.1 mp0 -140.65 173.01 11.91 Favored 'General case' 0 N--CA 1.488 1.467 0 O-C-N 120.344 -1.68 . . . . 0.0 108.451 -179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.433 ' CG1' HD13 ' B' ' 61' ' ' LEU . 11.0 t -112.02 129.56 67.26 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.542 0 N-CA-C 108.484 -0.932 . . . . 0.0 108.484 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.523 ' O ' ' N ' ' B' ' 73' ' ' GLU . 95.8 m-20 -95.76 151.03 19.74 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.153 -0.967 . . . . 0.0 108.433 179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.519 ' CE1' ' CG2' ' B' ' 75' ' ' VAL . 28.9 t80 -45.27 -32.34 1.91 Allowed 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.132 -0.98 . . . . 0.0 110.517 -178.698 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.583 ' NE2' HD21 ' A' ' 87' ' ' ASN . 61.5 mt-30 -72.93 -25.4 61.02 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 120.641 -1.287 . . . . 0.0 108.723 179.266 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.523 ' N ' ' O ' ' B' ' 70' ' ' ASP . 83.8 mt-10 -84.72 -40.01 17.83 Favored 'General case' 0 C--N 1.303 -1.455 0 CA-C-O 121.658 0.742 . . . . 0.0 110.248 179.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.605 ' CZ ' HD23 ' B' ' 36' ' ' LEU . 20.8 t80 -69.09 -46.89 66.63 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.709 -0.619 . . . . 0.0 111.203 -177.89 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.728 HG12 ' HB1' ' A' ' 79' ' ' ALA . 54.6 t -59.92 -39.87 81.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.259 -0.9 . . . . 0.0 109.262 -179.432 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.448 HG23 ' O ' ' B' ' 72' ' ' GLN . 54.5 t -58.0 -37.29 60.39 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.699 0 C-N-CA 118.822 -1.151 . . . . 0.0 108.855 179.016 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.817 HD11 HD12 ' B' ' 81' ' ' LEU . 3.4 tm? -69.86 -55.77 8.86 Favored 'General case' 0 N--CA 1.503 2.202 0 O-C-N 121.219 -0.925 . . . . 0.0 113.004 -177.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.428 HG23 ' N ' ' B' ' 79' ' ' ALA . 33.9 m -55.77 -34.69 37.24 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.312 0 O-C-N 120.331 -1.481 . . . . 0.0 109.528 -178.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.713 ' HB1' HG12 ' A' ' 75' ' ' VAL . . . -67.97 -38.71 83.06 Favored 'General case' 0 C--N 1.29 -1.999 0 O-C-N 121.592 -0.692 . . . . 0.0 109.372 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.448 ' O ' HD21 ' Y' ' 11' ' ' LEU . . . -77.51 -24.93 49.92 Favored 'General case' 0 C--N 1.301 -1.512 0 N-CA-C 113.588 0.959 . . . . 0.0 113.588 -176.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.817 HD12 HD11 ' B' ' 77' ' ' LEU . 21.2 mt -85.97 -41.48 14.85 Favored 'General case' 0 N--CA 1.509 2.493 0 O-C-N 119.772 -1.83 . . . . 0.0 109.823 179.761 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.478 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.1 t -56.36 -43.19 78.91 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.645 -1.284 . . . . 0.0 109.541 178.22 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.478 ' N ' HG23 ' B' ' 82' ' ' THR . 16.0 m -60.01 -40.09 82.12 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.043 -1.036 . . . . 0.0 109.373 178.042 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.457 ' HB3' ' CZ3' ' Y' ' 7' ' ' TRP . . . -60.95 -26.96 67.89 Favored 'General case' 0 N--CA 1.487 1.378 0 N-CA-C 108.718 -0.845 . . . . 0.0 108.718 179.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 17.0 t -70.05 -39.82 75.49 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.553 -0.717 . . . . 0.0 109.639 -179.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 47.2 t-20 -60.03 -41.1 91.5 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.154 -0.966 . . . . 0.0 109.076 179.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.552 HD21 ' NE2' ' A' ' 72' ' ' GLN . 26.8 m120 -61.36 -40.02 92.76 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.34 -0.85 . . . . 0.0 109.558 179.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.507 ' CE1' HD12 ' Y' ' 10' ' ' ILE . 3.0 m-30 -88.12 -0.34 56.95 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.349 -0.845 . . . . 0.0 109.893 -179.045 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 47.9 t80 -84.61 -36.51 21.98 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.983 -1.073 . . . . 0.0 109.345 179.629 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 91.7 m95 -90.45 -2.17 57.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.398 -0.814 . . . . 0.0 111.273 -178.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 19.7 pt-20 -59.94 -40.05 87.63 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.464 -1.397 . . . . 0.0 109.319 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -91.83 65.29 4.93 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.225 -0.922 . . . . 0.0 108.689 179.209 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 59.2 p . . . . . 0 N--CA 1.49 1.533 0 CA-C-O 117.923 -1.037 . . . . 0.0 109.667 -179.715 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_